SCHEMBL450925

SCHEMBL450925

C1CNCC2(C1)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.40
CYP3A4 P08684 8/20 0.40
ALDH1A1 P00352 7/20 0.40
CYP1A2 P05177 5/20 0.40
USP2 O75604 4/20 0.40
HSD17B10 Q99714 5/20 0.39
TSHR P16473 3/20 0.39
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 4/20 0.36
CYP2C19 P33261 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KA5 O75582 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL26017608 1.00 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL31049944 1.00 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL1961429 0.95 ALDH1A1 (0.38) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL165883 0.94 CYP2D6 (0.42) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL503843 0.92 ALDH1A1 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL5431980 0.92 CYP2D6 (0.35) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL5431752 0.92 ALDH1A1 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL5438795 0.92 ALDH1A1 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL5425406 0.92 TSHR (0.36) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
Water SCHEMBL6402454 0.91 CYP3A4 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914600-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2024-08-07 EP claimed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO claimed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US claimed
EP-2463374-A2 Isolated alcohol dehydrogenase enzymes and uses thereof Bio Architecture Lab, Inc. (US) 2012-06-13 EP claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US claimed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO claimed
US-20260138951-A1 TREATING PKU WITH SPIRO-SUBSTITUTED AND OTHER PIPERIDINE INHIBITORS OF SLC6A19 FUNCTION JNANA THERAPEUTICS INC (US) 2026-05-21 US disclosed
EP-3891149-B1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-01-28 EP disclosed
EP-4602041-A1 HPK1 INHIBITORS AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2025-08-20 EP disclosed
EP-4600247-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2025-08-13 EP disclosed
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2002-01-31 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 WO 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 CYP2D6 1991/4885CYP3A4 2604/4885ALDH1A1 2297/4885
US-20260138951-A1 TREATING PKU WITH SPIRO-SUBSTITUTED AND OTHER PIPERIDINE INHIBITORS OF SLC6A19 FUNCTION SLC6A19, SLC6A9, SLC2A9 CYP2D6 308/4885CYP3A4 1211/4885ALDH1A1 438/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA CYP2D6 639/4885CYP3A4 214/4885ALDH1A1 753/4885
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP CYP2D6 3270/4885CYP3A4 2337/4885ALDH1A1 248/4885

“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.