SCHEMBL22062862

SCHEMBL22062862

Cc1c(C2CC2)cc(N)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.49
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL18315116 0.81 KLKB1 (0.35) PDE10ANOS3NOS1NOS2
SCHEMBL17236176 0.78 PDE10A (0.37) PDE10ATAAR1NOS3NOS1NOS2
SCHEMBL22029016 0.78 PDE10A (0.33) PDE10ATAAR1
Hydrochloric Acid SCHEMBL17225047 0.76 PDE10A (0.36) PDE10ATAAR1NOS3NOS1NOS2
SCHEMBL3637109 0.71 NOS3 (0.41) PDE10ANOS3NOS1NOS2
SCHEMBL31314110 0.71 TDP1 (0.35) PDE10ATAAR1
SCHEMBL21355574 0.71 TAAR1 (0.38) PDE10ATAAR1NOS3NOS1NOS2
SCHEMBL17225037 0.70 ALOX5AP (0.35) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL17225005 0.69 ALOX5AP (0.34) NOS3NOS1NOS2
SCHEMBL21586420 0.69 PDE10A (0.38) PDE10ATAAR1

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-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (3 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PDE10A 4280/4885TAAR1 4588/4885NOS3 3408/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PDE10A 4280/4885TAAR1 4588/4885NOS3 3408/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS PDE10A 4280/4885TAAR1 4588/4885NOS3 3408/4885

“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.