SCHEMBL14670199

SCHEMBL14670199

CCCCN1CCN(C(=O)OCC)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.56
HRH1 P35367 15/20 0.56
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL27629332 0.95 HRH2 (0.59) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL9047895 0.93 HRH2 (0.60) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL11747160 0.93 HRH2 (0.60) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL9051052 0.89 ALDH1A1 (0.56) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL11392680 0.87 HRH2 (0.55) HRH2HRH1ALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL27445572 0.87 ALDH1A1 (0.58) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL5537946 0.86 HRH2 (0.53) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL3270714 0.86 ALDH1A1 (0.59) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL10854255 0.86 HRH2 (0.53) HRH2HRH1ALDH1A1POLBHTT
SCHEMBL12846943 0.85 HRH2 (0.56) HRH2HRH1ALDH1A1

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-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 US disclosed
CN-1136191-C Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists ������ҩ�����޹�˾ 2004-01-28 CN disclosed
CN-1301253-A Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists AVENTIS PHARMACEUTICAL INC (US) 2001-06-27 CN 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-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG HRH2 434/4885HRH1 700/4885ALDH1A1 2149/4885

“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.