SCHEMBL4399365

SCHEMBL4399365

COc1cc(OC)c(CN2CC[C@H](NC(=O)c3ccccc3)C2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.70
▸ DRD4 P21917 7/20 0.61
▸ DRD2 P14416 4/20 0.61
▸ SSTR5 P35346 1/20 0.57
▸ UTS2R Q9UKP6 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CD274 Q9NZQ7 1/20 0.53

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
SCHEMBL11395220 0.79 MCHR1 (0.77) MCHR1DRD4DRD2
SCHEMBL7694198 0.78 DRD2 (0.85) MCHR1DRD4DRD2HTR2A
SCHEMBL7694199 0.78 DRD2 (0.85) MCHR1DRD4DRD2HTR2A
SCHEMBL678856 0.77 MCHR1 (1.00) MCHR1DRD4
SCHEMBL678857 0.77 MCHR1 (1.00) MCHR1DRD4
SCHEMBL1753725 0.77 DRD4 (0.77) MCHR1DRD4DRD2
SCHEMBL9872559 0.77 DRD4 (0.78) MCHR1DRD4
SCHEMBL12426323 0.76 DRD4 (0.70) MCHR1DRD4DRD2HTR2A
SCHEMBL12426664 0.76 DRD4 (0.70) MCHR1DRD4DRD2HTR2A
SCHEMBL14290681 0.76 MCHR1 (0.67) MCHR1DRD4DRD2POLB

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-20090054312-A1 SMIPs: Small molecule inhibitors of p27 depletion in cancers and other proliferative diseases NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 — — 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-20090054312-A1 SMIPs: Small molecule inhibitors of p27 depletion in cancers and other proliferative diseases CDKN1A, CDK4, CDK2 MCHR1 3752/4885DRD4 4357/4885DRD2 4541/4885

“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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