SCHEMBL1401414

SCHEMBL1401414

O=C(Cc1ccc2nccnc2c1)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE2 P0DPD6 1/20 0.57
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CHRM4 P08173 1/20 0.47
▸ DRD2 P14416 2/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SYK P43405 3/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ TRPV6 Q9H1D0 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ MLNR O43193 2/20 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
SCHEMBL15840485 0.77 DRD2 (0.54) MEN1KMT2ACHRM4DRD2HTR2C
SCHEMBL4813515 0.77 CHRM4 (0.58) MEN1KMT2ACHRM4DRD2HTR2C
SCHEMBL17208434 0.76 DRD2 (0.55) MEN1KMT2ACHRM4DRD2HTR2C
SCHEMBL1581482 0.74 DRD2 (0.58) CHRM4DRD2HTR2CCCR2GRM2
SCHEMBL1761033 0.73 DRD2 (0.56) CHRM4DRD2HTR2CCCR2DRD4
SCHEMBL5755275 0.72 KDM4E (0.50) MEN1KMT2ACHRM4DRD2NPSR1
Hydrochloric Acid SCHEMBL4810213 0.72 KDM4E (0.49) MEN1KMT2ACHRM4DRD2NPSR1
SCHEMBL22605456 0.72 ECE2 (0.48) ECE2
SCHEMBL29518257 0.72 ECE2 (0.48) ECE2
SCHEMBL20349607 0.70 KMT2A (1.00) MEN1KMT2ACNR1CYP1A2CYP3A4

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
EP-1383761-B1 Phenyl- and pyridyl-piperidines with tnf activity SANOFI AVENTIS (FR) 2011-03-02 — — EP disclosed
US-7326720-B2 Phenyl- and pyridylpiperidines with TNF activity SANOFI-AVENTIS (FR) 2008-02-05 — — US disclosed
US-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity SANOFI-AVENTIS (FR) 2004-07-01 — — 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-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity TNF, TNFRSF1A, NGFR ECE2 2285/4885MEN1 4617/4885KMT2A 3957/4885

“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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