SCHEMBL4412828

SCHEMBL4412828

CCc1ncccc1C(=O)N1CCC(c2cc(CN)ccc2F)CC1.c1cc2cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.49
KCNH2 Q12809 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MTOR P42345 3/20 0.39
F10 P00742 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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 SCHEMBL4414531 0.99 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19MTOR
SCHEMBL4399231 0.90 TPSAB1 (0.40) TPSAB1KCNH2CYP2C9CYP2C19F10
SCHEMBL7019482 0.90 TPSAB1 (0.40) TPSAB1KCNH2CYP2C9CYP2C19F10
Hydrochloric Acid SCHEMBL4401946 0.90 TPSAB1 (0.40) TPSAB1KCNH2CYP2C9CYP2C19F10
Hydrochloric Acid SCHEMBL4404747 0.90 TPSAB1 (0.40) TPSAB1KCNH2CYP2C9CYP2C19F10
Hydrochloric Acid SCHEMBL4404473 0.85 TPSAB1 (0.54) TPSAB1KCNH2F10CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4406550 0.83 HTR2A (0.39) TPSAB1CYP2C19MTORHTR2AHTR2C
SCHEMBL7025355 0.81 TPSAB1 (0.44) TPSAB1KCNH2F10CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4403358 0.81 TPSAB1 (0.43) TPSAB1KCNH2F10CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6491184 0.81 TPSAB1 (0.43) TPSAB1KCNH2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 TPSAB1 4/4885KCNH2 2745/4885CYP2C9 1908/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885KCNH2 2745/4885CYP2C9 1908/4885

“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.