SCHEMBL1383474

SCHEMBL1383474

NC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.67
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC6A3 Q01959 3/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
EDNRB P24530 1/20 0.52
MAPK1 P28482 1/20 0.52
MC4R P32245 1/20 0.52
MC3R P41968 1/20 0.52
DRD2 P14416 1/20 0.52
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
EPHX1 P07099 1/20 0.48

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 SCHEMBL5011439 0.98 CYP2C19 (0.65) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL29096814 0.98 CYP2C19 (0.65) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL29031805 0.90 CYP2C19 (0.57) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL2203786 0.88 CYP2C19 (0.56) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL29921749 0.88 CYP2C19 (0.56) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL3911220 0.88 CYP2C19 (0.67) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6378333 0.88 CYP2C19 (0.56) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL28682706 0.85 CYP2C19 (0.53) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL9105247 0.84 ALDH1A1 (0.63) CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL4438449 0.84 CACNA1A (0.56) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960030-A Preparation method of 3-subunit oxindole derivative 湖北工业大学 2023-04-14 CN claimed
CN-109438277-A Oximido naphthoquinone compound and its preparation method and application 普济生物科技(台州)有限公司 2019-03-08 CN claimed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP claimed
JP-4838934-B2 2011-12-14 JP claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-RE40851-E1 3,3-diphenylpropylamines, their use and preparation PFIZER HEALTH AB (SE) 2009-07-14 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
EP-0667852-B1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-04-08 EP claimed
JP-2664503-B2 1997-10-15 JP claimed
US-5559269-A ANTICHOLINERGIC AGENTS PHARMACIA AB (SE) 1996-09-24 US claimed
EP-0667852-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-08-23 EP claimed
WO-1994011337-A9 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION 1995-07-06 WO claimed
WO-1994011337-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION PHARMACIA AB (SE) 1994-05-26 WO claimed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP claimed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP claimed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO claimed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R CYP2C19 494/4885CYP2D6 307/4885CYP1A2 1729/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS CYP2C19 4851/4885CYP2D6 4790/4885CYP1A2 4860/4885

“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.