SCHEMBL1380988

SCHEMBL1380988

Cc1ccc(CN)cc1C1CCN(C(=O)c2cncc(CCc3ccccc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 1/20 0.41
TPSAB1 Q15661 5/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39

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 SCHEMBL4401941 0.99 TRPC6 (0.41) TRPC6TPSAB1KCNH2ALDH1A1HTT
SCHEMBL7019473 0.90 TPSAB1 (0.41) TRPC6TPSAB1KCNH2ALDH1A1CYP2C9
SCHEMBL1381851 0.89 TPSAB1 (0.51) TRPC6TPSAB1KCNH2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL4404743 0.89 TPSAB1 (0.40) TRPC6TPSAB1KCNH2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL6486065 0.88 TPSAB1 (0.50) TRPC6TPSAB1KCNH2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL4403389 0.88 TPSAB1 (0.50) TRPC6TPSAB1KCNH2ALDH1A1CYP2C9
SCHEMBL27535800 0.85 NAMPT (0.41) TPSAB1KCNH2ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL27500510 0.84 NAMPT (0.41) TPSAB1KCNH2ALDH1A1HTTSMN1; SMN2
SCHEMBL1380986 0.84 MGLL (0.39) TPSAB1KCNH2CYP2C9CYP2C19MEN1
SCHEMBL7021172 0.84 TPSAB1 (0.53) TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796732-B2 2011-10-19 JP claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP claimed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US claimed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US claimed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP claimed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TRPC6 472/4885TPSAB1 4/4885KCNH2 2745/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TRPC6 472/4885TPSAB1 4/4885KCNH2 2745/4885

“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.