SCHEMBL3386016

SCHEMBL3386016

O=C(Nc1ccc2c(c1)c(CN1CCCC1)cn2Cc1c(Cl)cccc1Cl)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 4/20 0.46
▸ CACNA1A O00555 4/20 0.46
▸ CACNA1G O43497 4/20 0.46
▸ CACNG3 O60359 4/20 0.46
▸ CACNA1F O60840 4/20 0.46
▸ CACNA1H O95180 4/20 0.46
▸ CACNB3 P54284 4/20 0.46
▸ CACNA2D1 P54289 4/20 0.46
▸ CACNG7 P62955 4/20 0.46
▸ CACNA1B Q00975 4/20 0.46
▸ CACNA1D Q01668 4/20 0.46
▸ CACNB1 Q02641 4/20 0.46
▸ CACNG1 Q06432 4/20 0.46
▸ CACNB2 Q08289 4/20 0.46
▸ CACNA1S Q13698 4/20 0.46
▸ CACNA1C Q13936 4/20 0.46
▸ CACNA1E Q15878 4/20 0.46
▸ CACNA2D4 Q7Z3S7 4/20 0.46
▸ CACNA2D3 Q8IZS8 4/20 0.46
▸ CACNG8 Q8WXS5 4/20 0.46

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
SCHEMBL4178385 0.93 F2R (0.50) ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4
SCHEMBL4316805 0.92 GAA (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4174366 0.80 NPY5R (0.46) ALDH1A1KDM4EPOLBGAACYP1A2
SCHEMBL3386168 0.76 POLB (0.48) ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4
SCHEMBL4182812 0.74 POLB (0.48) ALDH1A1KDM4ECYP2C9CYP2C19CYP3A4
SCHEMBL14583991 0.73 SLC22A12 (0.56) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3383808 0.71 GAA (0.50) ALDH1A1KDM4EPOLBGAACYP1A2
SCHEMBL12340155 0.71 F2R (0.67) F2RF2
SCHEMBL2776874 0.71 ABL1 (0.53) ALDH1A1
SCHEMBL16629103 0.71 POLB (0.55) ALDH1A1CYP2C19POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 — — EP disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 — — EP disclosed
EP-1806141-A1 PAR-2 ANTAGONISTS Kowa Company, Ltd. (JP) 2007-07-11 — — 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 CACNB4 3899/4885CACNA1A 4822/4885CACNA1G 4517/4885
US-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 CACNB4 4487/4885CACNA1A 3862/4885CACNA1G 3736/4885

“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.

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