SCHEMBL3018337

SCHEMBL3018337

c1ccc(COc2ccc3c(c2)CO[C@@H]2CN(Cc4ccccc4)C[C@H]32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.48
GRIN2B Q13224 5/20 0.48
S1PR5 Q9H228 4/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.44
S1PR1 P21453 3/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
PRKX P51817 1/20 0.44
ACVR1 Q04771 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
CYP2D6 P10635 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3018340 1.00 GRIN1 (0.48) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3018338 1.00 GRIN1 (0.48) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3024576 0.91 S1PR5 (0.47) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3024572 0.91 S1PR5 (0.47) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3024467 0.91 S1PR5 (0.47) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3024463 0.91 S1PR5 (0.47) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3024468 0.91 S1PR5 (0.47) GRIN1GRIN2BS1PR5NPC1RAB9A
SCHEMBL3031744 0.78 MAOB (0.46) GRIN1GRIN2BMAOAMAOBHRH3
SCHEMBL3031740 0.78 MAOB (0.46) GRIN1GRIN2BMAOAMAOBHRH3
SCHEMBL3031742 0.78 MAOB (0.46) GRIN1GRIN2BMAOAMAOBHRH3

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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 GRIN1 272/4885GRIN2B 151/4885S1PR5 1546/4885

“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.