SCHEMBL921671

SCHEMBL921671

CN(C1CCN(CCC(C)(C(=O)NC(c2ccccc2)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 12/20 0.52
TACR1 P25103 11/20 0.48
TACR2 P21452 3/20 0.48
PRCP P42785 1/20 0.44
CCR5 P51681 4/20 0.44
CCR2 P41597 3/20 0.39

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
SCHEMBL297826 0.87 TACR3 (0.47) TACR3TACR1TACR2PRCPCCR5
SCHEMBL295620 0.84 TACR3 (0.64) TACR3TACR1TACR2CCR5CCR2
SCHEMBL12906732 0.84 TACR3 (0.64) TACR3TACR1TACR2CCR5CCR2
SCHEMBL8042025 0.84 TACR3 (0.64) TACR3TACR1TACR2CCR5CCR2
SCHEMBL296750 0.83 TACR3 (0.51) TACR3TACR1TACR2CCR5CCR2
SCHEMBL296518 0.82 TACR2 (0.54) TACR3TACR1TACR2CCR5CCR2
SCHEMBL296833 0.82 TACR3 (0.66) TACR3TACR1TACR2PRCPCCR5
SCHEMBL296889 0.82 TACR3 (0.52) TACR3TACR1TACR2CCR5CCR2
SCHEMBL296719 0.81 TACR1 (0.56) TACR3TACR1TACR2PRCP
SCHEMBL3858335 0.79 TACR3 (0.53) TACR3TACR1TACR2PRCPCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US 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
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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 95/4885TACR1 26/4885TACR2 21/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885TACR1 26/4885TACR2 21/4885

“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.