SCHEMBL11677341

SCHEMBL11677341

NN1c2ccccc2CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
HSD17B3 P37058 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC22A2 O15244 2/20 0.41
SLC22A1 O15245 2/20 0.41
SLC22A3 O75751 2/20 0.41
CHRM2 P08172 2/20 0.41
CYP2D6 P10635 2/20 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
Hydrochloric Acid SCHEMBL11818641 0.97 HTR2A (0.48) HTR2AMEN1KMT2AALDH1A1USP2
SCHEMBL3389475 0.84 POLB (0.51) HTR2AMEN1KMT2AHSD17B3NPC1
SCHEMBL30100746 0.84 POLB (0.51) HTR2AMEN1KMT2AHSD17B3NPC1
SCHEMBL12320654 0.84 HPGD (0.42) HTR2AMEN1KMT2AALDH1A1USP2
SCHEMBL21153126 0.77 HSD17B3 (0.52) HTR2AMEN1KMT2AALDH1A1USP2
SCHEMBL8164410 0.77 MEN1 (0.50) MEN1KMT2ASIGMAR1SMN1; SMN2LMNA
SCHEMBL5047321 0.76
SCHEMBL29625280 0.75 MEN1 (0.54) HTR2AMEN1KMT2AALDH1A1USP2
SCHEMBL112247 0.75 MEN1 (0.54) HTR2AMEN1KMT2AALDH1A1USP2
Hydrochloric Acid SCHEMBL1977939 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
WO-2017044567-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 WO disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
US-4018930-A ANALGESICS, SEDATIVES, TRANQUILIZERS ENDO LABORATORIES, INC. (US) 1977-04-19 US disclosed
US-3983123-A CNS ANTIDEPRESSANTS ENDO LABORATORIES, INC. (US) 1976-09-28 US disclosed
US-3966762-A N-[6,7]-Dihydroindolo[1,7-ab][1]benzazepin-2-yl)methyl/phthalimide STERLING DRUG INC. (US) 1976-06-29 US disclosed
US-3963721-A 2-(Piperazinoethyl)-6,7-dihydroindol)[1,7-an] [1]benzazepine STERLING DRUG INC. (US) 1976-06-15 US disclosed
US-3947447-A CENTRAL NERVOUS SYSTEM DEPRESSANT, ANTICONVULSANT, MUSCLE RELAXANT, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-03-30 US disclosed
US-3932650-A TRANQUILIZERS E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 US disclosed
US-3931223-A 3-(Dimethylamino)-1,2,3,4,8,9-hexahydro-1H[1]benzazepino[1,2,3-k,j]carbazole STERLING DRUG INC. (US) 1976-01-06 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 (3 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB HTR2A 1011/4885MEN1 2493/4885KMT2A 2223/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 HTR2A 861/4885MEN1 122/4885KMT2A 1200/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 HTR2A 1849/4885MEN1 2440/4885KMT2A 1916/4885

“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.