SCHEMBL15545207

SCHEMBL15545207

CCC(=O)N[C@H]1CCc2ccc(OC)cc2[C@H]1Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.56
MTNR1A P48039 7/20 0.48
NQO2 P16083 6/20 0.48
MTNR1B P49286 6/20 0.48
NPY5R Q15761 1/20 0.43
SLC6A9 P48067 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL15617046 0.89 TRPV1 (0.54) TRPV1MTNR1ANQO2MTNR1BNPY5R
SCHEMBL15544456 0.89 TRPV1 (0.54) TRPV1MTNR1ANQO2MTNR1BNPY5R
SCHEMBL15617246 0.89 TRPV1 (0.54) TRPV1MTNR1ANQO2MTNR1BNPY5R
SCHEMBL15544210 0.89 MTNR1A (0.48) TRPV1MTNR1ANQO2MTNR1BNPY5R
SCHEMBL17399092 0.87 TRPV1 (0.46) TRPV1MTNR1AMTNR1BSLC6A9
SCHEMBL3103846 0.79 SLC6A9 (0.56) TRPV1SLC6A9KDM1AMAOAMAOB
SCHEMBL3100894 0.77 TRPV1 (0.45) TRPV1MTNR1ANQO2MTNR1BSLC6A9
SCHEMBL7272279 0.77 MTNR1A (0.60) MTNR1ANQO2MTNR1B
SCHEMBL7272276 0.77 MTNR1A (0.60) MTNR1ANQO2MTNR1B
SCHEMBL3094550 0.77 TRPV1 (0.45) TRPV1NPY5RSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2016-05-26 US disclosed
US-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2016-05-26 US disclosed
US-9227901-B2 Process for preparing bicyclic amine derivatives ABBVIE INC. (US) 2016-01-05 US disclosed
US-9227901-B2 Process for preparing bicyclic amine derivatives ABBVIE INC. (US) 2016-01-05 US disclosed
EP-2870132-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES AbbVie Inc. (US) 2015-05-13 EP disclosed
US-20140012015-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2014-01-09 US disclosed
WO-2014008350-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. (US) 2014-01-09 WO disclosed
WO-2014008350-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. (US) 2014-01-09 WO 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 (2 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-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 TRPV1 3747/4885MTNR1A 3378/4885NQO2 2266/4885
US-20140012015-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 TRPV1 3747/4885MTNR1A 3378/4885NQO2 2266/4885

“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.