SCHEMBL4151143

SCHEMBL4151143

CCCCN1CCC(CC2COc3ccc(C(=O)O)c(N)c3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.46
HTR2C P28335 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA2C P18825 2/20 0.43
HTR1D P28221 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ADRA2A P08913 2/20 0.42
HRH1 P35367 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7401627 0.85 HTR4 (0.56) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7391971 0.82 HTR4 (0.45) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL6263176 0.81 HTR4 (0.58) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7404756 0.81 HTR4 (0.58) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7405651 0.80 HTR4 (0.55) HTR4ADRA1AADRA2BADRA1BADRA2A
Hydrochloric Acid SCHEMBL7399150 0.80 HTR2C (0.59) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL8317708 0.78 HTR4 (0.44) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7395285 0.77 HTR4 (0.42) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7400000 0.76 HTR4 (0.58) HTR4HTR2CADRA1AADRA2CHTR1D
SCHEMBL7360909 0.74 HTR4 (0.52) HTR4HTR2CADRA1AADRA2CHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168250-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-10-27 US claimed
US-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY UNIVERSITÉ DE NÎMES (FR) 2013-10-17 US claimed
US-9168250-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-10-27 US disclosed
US-8859537-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-10-14 US disclosed
US-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY UNIVERSITÉ DE NÎMES (FR) 2013-10-17 US disclosed
US-20090124592-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY CENTRE NAT DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-05-14 US disclosed
US-20060116341-A1 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS, AN ORGANIZATION OF FRANCE (FR) 2006-06-01 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-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY OPRL1, HTR4, OPRM1 HTR4 2/4885HTR2C 19/4885ADRA1A 198/4885

“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.