SCHEMBL2270031

SCHEMBL2270031

O=C1CCN(c2ccnc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
CYP17A1 P05093 6/20 0.41
CHRM1 P11229 1/20 0.39
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
EED O75530 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL23152497 0.85 HTR7 (0.46) HTR7CYP17A1CHRM1LMNAHRH4
SCHEMBL24126771 0.82 CHKA (0.52) HTR7CYP17A1LMNAHRH4
SCHEMBL5729251 0.79 LDHA (0.40) CHRM1LMNAHRH4EED
SCHEMBL5731145 0.79 LMNA (0.38) CHRM1LMNAHRH4EED
SCHEMBL17893769 0.78 ADRB1 (0.38) HTR7CYP17A1CHRM1LMNA
SCHEMBL3724026 0.77 LMNA (0.46) LMNA
SCHEMBL1432978 0.77 ADRB2 (0.56) HTR7CHRM1HRH4
SCHEMBL1849544 0.77 HRH4 (0.59) HRH4
SCHEMBL5728966 0.76 LNPEP (0.41) CHRM1LMNAHRH4EED
SCHEMBL8514674 0.76 CHRM1 (0.46) HTR7CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 HTR7 155/4885CYP17A1 3103/4885CHRM1 832/4885

“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.