SCHEMBL10260897

SCHEMBL10260897

O=c1[nH]c2ccc(I)cc2n1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.49
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 2/20 0.45
CHRM5 P08912 1/20 0.45
KCNH2 Q12809 1/20 0.45
OPRM1 P35372 5/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL11836463 0.89 SIRT2 (0.49) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL18203563 0.84 PGR (0.50) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL2249719 0.83 CHRM1 (0.56) PGRCHRM1KCNH2OPRM1OPRL1
SCHEMBL22588378 0.83 PGR (0.49) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL603514 0.83 CHRM1 (0.64) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL31286016 0.83 OPRM1 (0.59) PGROPRM1
SCHEMBL4222708 0.83 OPRM1 (0.59) PGROPRM1
SCHEMBL31285957 0.83 PGR (0.49) PGRCHRM2CHRM4CHRM1CHRM3
SCHEMBL14923221 0.83 PGR (0.49) PGRCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL4635771 0.82 OPRM1 (0.58) PGROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 PGR 3724/4885CHRM2 3456/4885CHRM4 3936/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 PGR 3724/4885CHRM2 3456/4885CHRM4 3936/4885

“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.