SCHEMBL12738166

SCHEMBL12738166

C[C@H](Cc1ccc(O)cc1)Nc1nc(C2CC2)nc(C=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.35
▸ POLB P06746 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ OPRM1 P35372 3/20 0.31
▸ OPRD1 P41143 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ ADRB2 P07550 5/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL12737610 0.89 LPAR2 (0.39) PDE10A
SCHEMBL12738438 0.71 PDE10A (0.38) PDE10AACHEMAPK1TSHR
SCHEMBL12738552 0.70 PDE10A (0.46) PDE10A
SCHEMBL13769059 0.70 PDE10A (0.34) PDE10A
SCHEMBL12737905 0.70 PDE10A (0.46) PDE10A
SCHEMBL1609304 0.69 NPSR1 (0.42) TSHRNPSR1
SCHEMBL1609306 0.69 NPSR1 (0.42) TSHRNPSR1
SCHEMBL12738494 0.68 PDE10A (0.43) PDE10AACHEMAPK1
SCHEMBL12738185 0.68 PDE2A (0.35) PDE10A
SCHEMBL12738177 0.68 ROCK2 (0.43) PDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 — — 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE10A 1704/4885POLB 915/4885ACHE 588/4885

“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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