SCHEMBL9013032

SCHEMBL9013032

Nc1cccc2c1NCCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CD44 P16070 2/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL30585548 0.82 CYP3A4 (0.35) PARP1CYP3A4TSHRALDH1A1HPGD
SCHEMBL28511189 0.78 CYP3A4 (0.53) PARP1CYP3A4TSHRALDH1A1HPGD
SCHEMBL22368621 0.75 PARP1 (0.37) PARP1CD44MAPT
SCHEMBL15220539 0.75 MEN1 (0.30) PARP1CYP3A4TDP1ALOX15CASP1
SCHEMBL19657537 0.73 CREBBP (0.40) PARP1TSHRALDH1A1MEN1KMT2A
SCHEMBL29130495 0.73 ADRA2A (0.40) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL31357070 0.73 CREBBP (0.40) PARP1TSHRALDH1A1MEN1KMT2A
SCHEMBL9230508 0.73 PARP1 (0.36) PARP1CYP3A4TSHRALDH1A1HPGD
SCHEMBL28506808 0.73 HTR5A (0.35) CYP3A4ALDH1A1MEN1GAAKMT2A
SCHEMBL1119383 0.71 CD44 (0.46) PARP1CYP3A4TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-11-20 US disclosed
US-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-05-05 US disclosed
EP-2997025-A1 PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-03-23 EP disclosed
CN-105209459-A Perhydroquinoxaline derivatives useful as analgesics WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR 2015-12-30 CN disclosed
WO-2014184355-A1 PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2014-11-20 WO disclosed
CN-101821254-A Adrenergic compounds ALLERGAN INC 2010-09-01 CN disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
CN-1109471-A Derivative of imidazol-4yl-piperidine, preparation of same and application of same in treatment SYNTHELABO (FR) 1995-10-04 CN 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-20250353824-A1 3-PHENYLPROPYLAMINE DERIVATIVE SF1, SF3A1, SFXN1 PARP1 948/4885CYP3A4 957/4885TSHR 1698/4885
US-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES PTGS1, HPGD, HMOX1 PARP1 605/4885CYP3A4 346/4885TSHR 4732/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D PARP1 1132/4885CYP3A4 609/4885TSHR 1117/4885

“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.