SCHEMBL14736940

SCHEMBL14736940

Fc1cccc(-c2nc(CCl)n(-c3ccccc3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
GRM5 P41594 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
SCHEMBL11297901 0.85 HDAC1 (0.50) PTGS1PTGS2HDAC1HDAC6
SCHEMBL14736372 0.84 PDE10A (0.48) PDE10AHDAC1HDAC6GRM5
SCHEMBL14736026 0.83 PDE10A (0.43) PDE10AHDAC1HDAC6GRM5
SCHEMBL14736577 0.81 PDE10A (0.48) PDE10AHDAC1HDAC6GRM5
SCHEMBL19196265 0.78 SMN1; SMN2 (0.46) GRM5
SCHEMBL19196224 0.77 RXFP1 (0.42) GRM5
SCHEMBL19196710 0.71 KMT2A (0.43)
SCHEMBL14736136 0.70 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL14736709 0.70 HDAC1 (0.53) HDAC1HDAC6
SCHEMBL25788313 0.69 DPP4 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781768-B Pde10 regulator 霍夫曼-拉罗奇有限公司 2016-08-17 CN disclosed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
CN-103781768-A PDE10 modulators HOFFMANN LA ROCHE 2014-05-07 CN disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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 (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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PDE10A 1/4885PTGS1 911/4885PTGS2 2521/4885

“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.