SCHEMBL3246807

SCHEMBL3246807

CCC1(c2ccccc2)CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.56
OPRM1 P35372 2/20 0.55
HTR2A P28223 1/20 0.47
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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 SCHEMBL1513382 0.98 TACR1 (0.54) TACR1OPRM1HTR2ASLC6A4KCNH2
Formic Acid SCHEMBL28511334 0.90 OPRM1 (0.49) TACR1OPRM1HTR2ASLC6A4KCNH2
SCHEMBL17861568 0.89 HTR2A (0.53) TACR1OPRM1HTR2ASLC6A4KCNH2
SCHEMBL15955086 0.85 MAOA (0.60) OPRM1SLC6A4MAOAMAOBTAAR1
SCHEMBL21770897 0.85 TACR1 (0.53) TACR1OPRM1HTR2ASLC6A4KCNH2
SCHEMBL5266493 0.82 TACR1 (0.55) TACR1OPRM1HTR2ASLC6A4KCNH2
SCHEMBL9330358 0.81 DPP4 (0.63) SLC6A4MAOAMAOBTAAR1
SCHEMBL10606137 0.81 DPP4 (0.57) OPRM1SLC6A4MAOAMAOBTAAR1
SCHEMBL8042316 0.81 DRD2 (0.55) TACR1SLC6A4KCNH2
SCHEMBL20977731 0.81 CYP19A1 (0.44) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
EP-2507228-B1 NOVEL SPIROPIPERIDINE COMPOUNDS LILLY CO ELI (US) 2014-11-05 EP disclosed
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 CN disclosed
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 CN disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP disclosed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP disclosed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO disclosed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO disclosed
US-3936464-A HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1976-02-03 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 (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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B TACR1 93/4885OPRM1 14/4885HTR2A 115/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 TACR1 51/4885OPRM1 30/4885HTR2A 111/4885

“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.