SCHEMBL19456994

SCHEMBL19456994

CC(C)CCC(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20965472 0.89 ATM (0.45) HTR1AKMT2AHTTSMN1; SMN2TDP1
SCHEMBL21016209 0.85 GNAI3 (0.49) HTR1AKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12197897 0.84 PIK3CD (0.55) KMT2ASMN1; SMN2TDP1CYP1A2CNR1
SCHEMBL12197900 0.83 ATM (0.58) KMT2ASMN1; SMN2TDP1CNR1CNR2
SCHEMBL12197880 0.82 HRH3 (0.50) KMT2ATDP1CNR1CNR2KDM4E
SCHEMBL26078952 0.82 CNR1 (0.47) KMT2ATDP1CNR1CNR2KDM4E
SCHEMBL12197927 0.82 ATM (0.56) KMT2ASMN1; SMN2TDP1CNR1CNR2
SCHEMBL21016239 0.81 PIK3CD (0.61) KMT2ATDP1CNR1CNR2KDM4E
SCHEMBL14326400 0.81 CNR1 (0.43) KMT2ATDP1CNR1CNR2KDM4E
SCHEMBL10070827 0.81 HSD11B1 (0.53) KMT2ATDP1CNR1CNR2KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE BIOWAY., INC (KR) 2020-05-21 US disclosed
WO-2019190177-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE 주식회사 바이오웨이 2019-10-03 WO disclosed
WO-2017176040-A1 HETEROCYCLIC COMPOUND DECOMPOSING RAS AND USES THEREOF 연세대학교 산학협력단 2017-10-12 WO disclosed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US 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 (7 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-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE PCK1, PCK2, ACACB HTR1A 3578/4885KMT2A 748/4885HTT 4563/4885
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD HTR1A 3392/4885KMT2A 2000/4885HTT 1327/4885
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HTR1A 1215/4885KMT2A 1434/4885HTT 3498/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A HTR1A 1993/4885KMT2A 2368/4885HTT 4596/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HTR1A 1215/4885KMT2A 1434/4885HTT 3498/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A HTR1A 1993/4885KMT2A 2368/4885HTT 4596/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B HTR1A 2488/4885KMT2A 1930/4885HTT 4424/4885

“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.