SCHEMBL2509281

SCHEMBL2509281

c1cc2c(cc1C1CCCCC1)c1c3n2CCNC3CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 1.00
MAPT P10636 7/20 1.00
ALDH1A1 P00352 6/20 1.00
TP53 P04637 4/20 1.00
MAPK1 P28482 4/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2D6 P10635 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
LMNA P02545 4/20 0.87
NPSR1 Q6W5P4 3/20 0.87
CCR6 P51684 2/20 0.87
HSD17B10 Q99714 7/20 0.69
KDM4E B2RXH2 7/20 0.69
GAA P10253 4/20 0.69
HTR1A P08908 1/20 0.69
ADRA2A P08913 1/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9849090 0.99 KMT2A (0.98) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL13702963 0.99 KMT2A (0.98) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL18878061 0.81 HSD17B10 (1.00) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL29500947 0.81 HSD17B10 (1.00) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL18877133 0.81 HSD17B10 (1.00) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL373564 0.81 HSD17B10 (1.00) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL12922443 0.81 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL4157397 0.81 HSD17B10 (0.97) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL12948590 0.81 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1TP53
Pirlindole SCHEMBL1649683 0.80 HSD17B10 (0.95) KMT2AMEN1MAPTALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457908-A1 HYDROCHLORIDE 2,3,3a,4,5,6-HEXAHYDRO-8-CYCLOHEXYL-1H-PYRAZINO (3,2,1-j,k)CARBAZOL, METHOD OF OBTAINING IT AND A PHARMACEUTICAL PREPARATION OF ANTIDEPRESSIVE ACTION BASED ON IT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INST. IMENI SERGO ORDZHONIKIDZE (VNIKHFI) (SU) 1991-11-27 EP claimed
US-10479997-B2 Compositions and methods for diagnosis and treatment of prostate cancer NOVARTIS AG (CH) 2019-11-19 US disclosed
US-10172854-B2 Compositions and methods for treating mitochondrial diseases BIOVISTA, INC. (US) 2019-01-08 US disclosed
US-10172854-B2 Compositions and methods for treating mitochondrial diseases BIOVISTA, INC. (US) 2019-01-08 US disclosed
US-20180110775-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL DISEASES BIOVISTA INC (US) 2018-04-26 US disclosed
US-20180110775-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL DISEASES BIOVISTA INC (US) 2018-04-26 US disclosed
US-20180110775-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL DISEASES BIOVISTA INC (US) 2018-04-26 US disclosed
US-20180010132-A1 INHIBITION OF PRMT5 TO TREAT MTAP-DEFICIENCY-RELATED DISEASES NOVARTIS AG (CH) 2018-01-11 US disclosed
US-20170283807-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF PROSTATE CANCER NOVARTIS AG (CH) 2017-10-05 US disclosed
US-20170283807-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF PROSTATE CANCER NOVARTIS AG (CH) 2017-10-05 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
WO-2010068867-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES BIOVISTA, INC. (US) 2010-06-17 WO disclosed
WO-2010068867-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES BIOVISTA, INC. (US) 2010-06-17 WO disclosed
WO-2008150191-A1 ANOREXIGENIC MEDICINAL AGENT FOR CONTROLLING THE BODY MASS OTKRYTOE AKTSIONERNOE OBSCHESTVO 'OTECHESTVENNYE LEKARSTVA' (RU) 2008-12-11 WO disclosed
EP-0457908-A1 HYDROCHLORIDE 2,3,3a,4,5,6-HEXAHYDRO-8-CYCLOHEXYL-1H-PYRAZINO (3,2,1-j,k)CARBAZOL, METHOD OF OBTAINING IT AND A PHARMACEUTICAL PREPARATION OF ANTIDEPRESSIVE ACTION BASED ON IT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INST. IMENI SERGO ORDZHONIKIDZE (VNIKHFI) (SU) 1991-11-27 EP disclosed
EP-0457908-A1 HYDROCHLORIDE 2,3,3a,4,5,6-HEXAHYDRO-8-CYCLOHEXYL-1H-PYRAZINO (3,2,1-j,k)CARBAZOL, METHOD OF OBTAINING IT AND A PHARMACEUTICAL PREPARATION OF ANTIDEPRESSIVE ACTION BASED ON IT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INST. IMENI SERGO ORDZHONIKIDZE (VNIKHFI) (SU) 1991-11-27 EP disclosed
WO-1991007968-A1 HYDROCHLORIDE 2,3,3A,4,5,6-HEXAHYDRO-8-CYCLOHEXYL-1H-PYRAZINO (3,2,1-J,K)CARBAZOL, METHOD OF OBTAINING IT AND A PHARMACEUTICAL PREPARATION OF ANTIDEPRESSIVE ACTION BASED ON IT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INSTITUT IMENI SERGO ORDZHONIKIDZE (VNIKHFI) (SU) 1991-06-13 WO disclosed
WO-1991007968-A1 HYDROCHLORIDE 2,3,3A,4,5,6-HEXAHYDRO-8-CYCLOHEXYL-1H-PYRAZINO (3,2,1-J,K)CARBAZOL, METHOD OF OBTAINING IT AND A PHARMACEUTICAL PREPARATION OF ANTIDEPRESSIVE ACTION BASED ON IT VSESOJUZNY NAUCHNO-ISSLEDOVATELSKY KHIMIKO-FARMATSEVTICHESKY INSTITUT IMENI SERGO ORDZHONIKIDZE (VNIKHFI) (SU) 1991-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10479997-B2 Compositions and methods for diagnosis and treatment of prostate cancer PRMT5, PRMT1, PRMT3 KMT2A 130/4885MEN1 249/4885MAPT 3050/4885
US-10172854-B2 Compositions and methods for treating mitochondrial diseases MT-ND2, CS, UQCRC2 KMT2A 3335/4885MEN1 3314/4885MAPT 762/4885
US-20180110775-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL DISEASES MT-ND2, CS, UQCRC2 KMT2A 3335/4885MEN1 3314/4885MAPT 762/4885
US-20180010132-A1 INHIBITION OF PRMT5 TO TREAT MTAP-DEFICIENCY-RELATED DISEASES PRMT5, PRMT1, PRMT6 KMT2A 65/4885MEN1 198/4885MAPT 1870/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS KMT2A 4241/4885MEN1 2224/4885MAPT 2601/4885
US-20170283807-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS AND TREATMENT OF PROSTATE CANCER PRMT5, PRMT1, PRMT3 KMT2A 130/4885MEN1 249/4885MAPT 3050/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.