SCHEMBL758867

SCHEMBL758867

[NH]C1CCCCCCN1C1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL11735212 0.95 ALDH1A1 (0.33) HTR6ALDH1A1
SCHEMBL31460120 0.74 CYP2D6 (0.36) HRH3ALDH1A1
SCHEMBL962787 0.70 HTR6 (0.31) HTR6CHRM5ADRA2CHRH3
SCHEMBL21160967 0.70 HRH3 (0.36) HRH3ALDH1A1
SCHEMBL1634908 0.70 HTT (0.34) HTR6CHRM5ADRA2CALDH1A1
SCHEMBL633803 0.70 HRH3 (0.36) HRH3ALDH1A1
SCHEMBL18768680 0.70 HRH3 (0.36) HRH3ALDH1A1
SCHEMBL7870406 0.70 HTR6 (0.31) HTR6CHRM5ADRA2CHRH3
SCHEMBL729174 0.70 HTR6 (0.31) HTR6CHRM5ADRA2CHRH3
SCHEMBL3833380 0.70 PHGDH (0.32) HTR6CHRM5ADRA2CHRH3ALDH1A1

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-8143427-B2 Method for producing aminoacetylpyrrolidinecarbonitrile derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-03-27 US disclosed
EP-2123636-B1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE KYORIN SEIYAKU KK (JP) 2012-03-21 EP disclosed
US-20100099892-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE KYORIN PHARMACEUTICAL CO. LTD 2010-04-22 US disclosed
EP-2123636-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-11-25 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-20100099892-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE DPP4, DPP7, DPP8 HTR6 558/4885CHRM5 1391/4885ADRA2C 686/4885

“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.