SCHEMBL297826

SCHEMBL297826

CC(CCN1CCC(NCS(C)(=O)=O)CC1)(C(=O)NC(c1ccccc1)C(F)(F)F)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.47
PRCP P42785 1/20 0.45
TACR1 P25103 12/20 0.42
TACR2 P21452 4/20 0.42
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
CCR5 P51681 1/20 0.37
NPY2R P49146 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
S1PR1 P21453 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
SCHEMBL921671 0.87 TACR3 (0.52) TACR3PRCPTACR1TACR2CCR5
SCHEMBL295621 0.84 TACR3 (0.59) TACR3TACR1TACR2HRH1CCR3
SCHEMBL298316 0.83 TACR3 (0.46) TACR3TACR1TACR2HRH1CCR3
SCHEMBL296751 0.83 TACR3 (0.44) TACR3TACR1TACR2HRH1CCR3
SCHEMBL296719 0.81 TACR1 (0.56) TACR3PRCPTACR1TACR2
SCHEMBL296888 0.81 TACR3 (0.45) TACR3TACR1TACR2HRH1CCR3
SCHEMBL3858335 0.79 TACR3 (0.53) TACR3PRCPTACR1TACR2CCR5
SCHEMBL297808 0.79 KCNH2 (0.41) TACR3TACR1TACR2HRH1CCR3
SCHEMBL296624 0.77 KCNH2 (0.40) TACR3TACR1TACR2HRH1CCR3
SCHEMBL296833 0.77 TACR3 (0.66) TACR3PRCPTACR1TACR2CCR5

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
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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 (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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885PRCP 3287/4885TACR1 26/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885PRCP 3287/4885TACR1 26/4885

“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.