SCHEMBL2194607

SCHEMBL2194607

Cc1nc(Cl)c(CCO[Si](C)(C)C(C)(C)C)c(Cl)n1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL20851523 0.82
SCHEMBL20851417 0.72
SCHEMBL4195228 0.71 PDE10A (0.34) DUT
SCHEMBL20898062 0.70 CA12 (0.34) DUTCA12CA1CA2CA9
SCHEMBL24738812 0.69 DUT (0.33) DUTCA12CA1CA2CA9
SCHEMBL4759019 0.69 DUT (0.33) DUT
SCHEMBL7559276 0.68 DUT (0.37) DUTCA12CA1CA2CA9
SCHEMBL3863346 0.68 HTR1D (0.33) DUT
SCHEMBL11580466 0.67 DUT (0.42) DUTCA12CA1CA2CA9
SCHEMBL21356206 0.67 DUT (0.32) DUT

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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 DUT 4368/4885CA12 2330/4885CA1 1300/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 DUT 3966/4885CA12 1947/4885CA1 1429/4885

“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.