SCHEMBL2800494

SCHEMBL2800494

CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CN(C(=O)c2ccccc2)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.43
TACR1 P25103 13/20 0.40
TACR2 P21452 11/20 0.40
TAC3 Q9UHF0 3/20 0.40
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 2/20 0.37
GPR183 P32249 1/20 0.36

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
SCHEMBL7934200 1.00 TACR3 (0.43) TACR3TACR1TACR2TAC3SLC6A4
SCHEMBL1935480 1.00 TACR3 (0.43) TACR3TACR1TACR2TAC3SLC6A4
SCHEMBL1936739 0.93 TACR1 (0.43) TACR3TACR1TACR2TAC3KCNH2
SCHEMBL7931924 0.93 TACR1 (0.43) TACR3TACR1TACR2TAC3KCNH2
SCHEMBL2796395 0.93 TACR1 (0.43) TACR3TACR1TACR2TAC3KCNH2
SCHEMBL7934322 0.93 TACR2 (0.43) TACR3TACR1TACR2TAC3
SCHEMBL2800559 0.93 TACR2 (0.43) TACR3TACR1TACR2TAC3
SCHEMBL2800563 0.93 TACR2 (0.43) TACR3TACR1TACR2TAC3
SCHEMBL2799875 0.93 TACR2 (0.43) TACR3TACR1TACR2TAC3KCNH2
SCHEMBL7922127 0.93 TACR2 (0.43) TACR3TACR1TACR2TAC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293770-B2 Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 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-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 TACR3 58/4885TACR1 8/4885TACR2 10/4885

“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.