SCHEMBL2494525

SCHEMBL2494525

C=CCSc1ccc2c(C(=O)O)c(C)c(-c3ccccc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.58
TSHR P16473 1/20 0.58
DHODH Q02127 16/20 0.57
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2522606 0.82 DHODH (0.60) PDE10ATSHRDHODH
SCHEMBL2807617 0.76 PDE10A (0.77) PDE10ATSHRDHODH
SCHEMBL1581832 0.76 CYP2D6 (0.64) PDE10ATSHRDHODHCYP2D6CYP2C19
SCHEMBL5205114 0.76 PDE10A (0.68) PDE10ATSHRDHODH
SCHEMBL1581468 0.75 PDE10A (1.00) PDE10ATSHRDHODHCYP2D6CYP2C19
SCHEMBL4230703 0.75 PDE10A (0.72) PDE10ATSHRDHODH
SCHEMBL5945340 0.75 DHODH (0.95) PDE10ATSHRDHODH
SCHEMBL18075791 0.74 PDE10A (0.75) PDE10ATSHRDHODH
Hydrochloric Acid SCHEMBL27511204 0.74 PDE10A (0.97) PDE10ATSHRDHODHCYP2D6CYP2C19
SCHEMBL5425219 0.74 DHODH (0.72) PDE10ATSHRDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
EP-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (1 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-20130012499-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV5 PDE10A 2268/4885TSHR 2692/4885DHODH 2190/4885

“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.