SCHEMBL7507014

SCHEMBL7507014

NC(Cc1ccccc1)c1nnn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.45
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6785583 1.00 CYP1A2 (0.54) CYP1A2EPHX1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL6791172 0.98 CYP1A2 (0.53) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL7143643 0.90 CYP1A2 (0.45) CYP1A2EPHX1TAAR1ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL29484058 0.88 CYP1A2 (0.44) CYP1A2ANPEPALPIPKMPTGS1
SCHEMBL13919546 0.86 LTA4H (0.53) CYP1A2SLC6A2MAOASLC6A3SIGMAR1
SCHEMBL11528941 0.83 CYP1A2 (0.42) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL6222556 0.83 CYP1A2 (0.41) CYP1A2EPHX1TAAR1MAOACYP2A6
SCHEMBL22885976 0.80 CYP1A2 (0.42) CYP1A2EPHX1SLC6A2TAAR1MAOA
SCHEMBL19354261 0.80 IDO1 (0.43) CYP1A2EPHX1L3MBTL1ALPIPKM
SCHEMBL19354535 0.80 IDO1 (0.43) CYP1A2EPHX1L3MBTL1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides AGENSYS, INC. (US) 2026-04-28 US disclosed
US-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES AGENSYS, INC. (US) 2022-06-30 US disclosed
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides AGENSYS, INC. (US) 2022-04-26 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-5294631-A Substituted benzimidazoles useful as angiotension II receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-03-15 US disclosed
US-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 US disclosed
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 EP 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 (4 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-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES DDOST, VIP, THPO CYP1A2 4496/4885EPHX1 2370/4885SLC6A2 4390/4885
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides DDOST, NGLY1, GRPR CYP1A2 4628/4885EPHX1 2167/4885SLC6A2 4276/4885
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CYP1A2 1025/4885EPHX1 389/4885SLC6A2 837/4885
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides VIP, DDOST, DNPEP CYP1A2 4792/4885EPHX1 4050/4885SLC6A2 4228/4885

“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.