SCHEMBL4712908

SCHEMBL4712908

CCN1CCN(c2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.66
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 2/20 0.61
RAD52 P43351 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GFER P55789 1/20 0.61
CHKA P35790 1/20 0.57
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PLD1 Q13393 1/20 0.52
DHFR P00374 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
DRD2 P14416 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL17888470 0.93 CHKA (0.60) CHRNA7MAPTSMN1; SMN2GAARAD52
SCHEMBL11956080 0.84 CYP2D6 (0.59) CHRNA7SMN1; SMN2CHKA
SCHEMBL28112415 0.82 CHKA (0.80) MAPTSMN1; SMN2GAAKDM4ECHKA
SCHEMBL25698053 0.80 CHKA (0.57) CHKAADRB2NCF1PLD1HRH3
SCHEMBL4715235 0.80 CHKA (0.57) CHKAADRB2NCF1PLD1HRH3
SCHEMBL27584817 0.79 CHKA (0.52) MAPTCHKAADRB2NCF1PLD1
SCHEMBL17828013 0.79 CHKA (0.52) KDM4EGFERCHKAADRB2NCF1
SCHEMBL16546681 0.79 CHKA (0.52) CHRNA7CHKAADRB2NCF1PLD1
SCHEMBL1101883 0.79 CHRNA7 (1.00) CHRNA7MAPTSMN1; SMN2GAARAD52
SCHEMBL13168231 0.79 CYP2C9 (0.54) CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
US-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (GA) 2022-05-17 US disclosed
WO-2022005898-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2022-01-06 WO disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
WO-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed
WO-2021046447-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed
WO-2021046407-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
EP-0597411-B1 Process for the preparation of phthalocyanine reactive dyes BASF AG (DE) 1999-04-28 EP disclosed
US-5516901-A Preparation of reactive phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
US-5444163-A Preparation of reactive phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed
EP-0602562-A1 Process for the preparation of phthalocyanine reactive dyes BASF Aktiengesellschaft (DE) 1994-06-22 EP disclosed
EP-0597411-A1 Process for the preparation of phthalocyanine reactive dyes BASF Aktiengesellschaft (DE) 1994-05-18 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 (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-11332451-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 CHRNA7 4295/4885MAPT 2246/4885SMN1; SMN2 1682/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CHRNA7 1047/4885MAPT 3303/4885SMN1; SMN2 2731/4885

“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.