SCHEMBL3539735

SCHEMBL3539735

Cn1nnc(CN2CCC(C(O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2C P28335 3/20 0.45
HTR7 P34969 2/20 0.45
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR6 P50406 1/20 0.40
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TEAD1 P28347 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL18291931 0.73 PDE2A (0.41) ALDH1A1HRH3
SCHEMBL30327187 0.70 CCR6 (0.50) HTR2AALDH1A1
SCHEMBL4236846 0.68 GPR119 (0.57) ALDH1A1
SCHEMBL3543085 0.67 EPHX1 (0.48) HTR2C
SCHEMBL4030229 0.67 HTT (0.47) ALDH1A1HRH3
SCHEMBL5010484 0.66 ALDH1A1 (0.56) TSHRALDH1A1CYP2D6TEAD1HRH3
SCHEMBL3544201 0.66 TSHR (0.49) TSHRALDH1A1TEAD1CHRM2
SCHEMBL7466544 0.66 ALDH1A1 (0.49) HTR2ATSHRALDH1A1TEAD1CHRM2
SCHEMBL9327580 0.65 HTR2A (0.70) HTR2AHTR2CHTR7TSHRCYP2D6
SCHEMBL5542857 0.65 ALDH1A1 (0.64) TSHRALDH1A1CYP2D6TEAD1HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 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 (2 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-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR HTR2A 2030/4885HTR2C 1358/4885HTR7 1869/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR HTR2A 2111/4885HTR2C 1385/4885HTR7 1620/4885

“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.