SCHEMBL5915231

SCHEMBL5915231

O=CC(Cl)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.53
▸ HTR2C P28335 2/20 0.51
▸ GRM2 Q14416 3/20 0.47
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ USP5 P45974 1/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ CCR5 P51681 1/20 0.40

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
SCHEMBL10057681 0.80 DRD2 (0.63) DRD2HTR2CGRM2CHRM2HTR1A
SCHEMBL28818474 0.80 DRD2 (0.59) DRD2HTR2CGRM2CHRM4DRD4
SCHEMBL10476060 0.78 CTSS (0.46) —
SCHEMBL24951042 0.75 DRD2 (0.64) DRD2HTR2CGRM2CHRM2HTR1A
SCHEMBL1065758 0.75 HTR2C (0.77) DRD2HTR2CGRM2HTR1AHTR2B
SCHEMBL21856317 0.75 IDH2 (0.43) —
SCHEMBL6926283 0.75 DRD2 (0.72) DRD2HTR2CGRM2CHRM2HTR1A
SCHEMBL20851092 0.75 DRD2 (0.63) DRD2HTR2CGRM2CHRM2HTR1A
SCHEMBL1761033 0.75 DRD2 (0.56) DRD2HTR2CGRM2CHRM4DRD4
SCHEMBL21810792 0.75 DRD2 (0.53) DRD2HTR2CGRM2CHRM2HTR1A

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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 — — 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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 DRD2 462/4885HTR2C 1184/4885GRM2 189/4885

“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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