SCHEMBL736195

SCHEMBL736195

CC(C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.58

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
SCHEMBL16822939 0.89 HRH3 (0.46) HRH3
SCHEMBL18552417 0.84 HRH3 (0.42) HRH3
SCHEMBL3274096 0.84 HRH3 (0.55) HRH3
SCHEMBL28297004 0.84 SIGMAR1 (0.45)
SCHEMBL2811370 0.81 HRH3 (0.54) HRH3
SCHEMBL11044966 0.81 EPHX2 (0.54)
SCHEMBL16532717 0.81 SIGMAR1 (0.45)
SCHEMBL28238752 0.80 DRD4 (0.49) HRH3
SCHEMBL6120780 0.80 SMN1; SMN2 (0.43) HRH3
SCHEMBL1830606 0.79 POLB (0.49) HRH3

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
CN-103588702-A N-substituted phenyl-4-one derivatives, and preparation method and application thereof UNIV ZHEJIANG 2014-02-19 CN disclosed
CN-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
CN-101228127-A Novel Piperidine Derivatives BANYU PHARMA CO LTD (JP) 2008-07-23 CN disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885

“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.