SCHEMBL736475

SCHEMBL736475

NCC1(O)CCN(c2ccc(OC3CCN(C4CCC4)CC3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.45
KCNH2 Q12809 1/20 0.45
ACACB O00763 2/20 0.42
LCAT P04180 1/20 0.40
HRH1 P35367 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL737812 0.84 HRH3 (0.44) HRH3ACACBLCAT
SCHEMBL738550 0.84 HRH3 (0.49) HRH3HRH1
SCHEMBL737267 0.82 HRH3 (0.42) HRH3KCNH2ACACBLCAT
SCHEMBL738582 0.78 HRH3 (0.55) HRH3KCNH2ACACBHRH1
SCHEMBL737730 0.77 HRH3 (0.48) HRH3KCNH2ACACBLCAT
SCHEMBL738061 0.76 HRH3 (0.48) HRH3KCNH2ACACBLCATSLC6A2
SCHEMBL735667 0.75 HRH3 (0.44) HRH3KCNH2ACACB
SCHEMBL738086 0.75 HRH3 (0.46) HRH3KCNH2ACACBLCAT
SCHEMBL738339 0.73 HRH3 (0.57) HRH3KCNH2
SCHEMBL737071 0.73 HRH3 (0.44) HRH3KCNH2ACACBLCAT

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
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
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 2/4885KCNH2 308/4885ACACB 4580/4885

“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.