SCHEMBL7002432

SCHEMBL7002432

CCCCNCc1ccc(OC)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.73
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
CHRM2 P08172 4/20 0.50
GRIN1 Q05586 3/20 0.50
GRIN2A Q12879 3/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL17138360 0.95 APLNR (0.71) APLNRHTR2AHTR2CCHRM2GRIN1
SCHEMBL18256578 0.90 APLNR (0.77) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL7768853 0.89 APLNR (0.86) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL28239860 0.86 APLNR (0.61) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL2883792 0.86 APLNR (0.71) APLNRHTR2AHTR2CCHRM2GRIN1
SCHEMBL25386029 0.85 APLNR (0.69) APLNRHTR2AHTR2CCHRM2GRIN1
SCHEMBL20558263 0.85 APLNR (0.69) APLNRHTR2AHTR2CCHRM2GRIN1
SCHEMBL783785 0.85 APLNR (1.00) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL3264888 0.84 APLNR (0.50) APLNRHTR2AHTR2CCHRM2HDAC3
SCHEMBL3265276 0.84 SLC2A1 (0.57) APLNRHTR2AHTR2CCHRM2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed
EP-0996621-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-05-03 EP disclosed
WO-1999005143-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-02-04 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 (1 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R APLNR 2194/4885HTR2A 1071/4885HTR2C 846/4885

“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.