Sugi Predict

Sugi Predict / Compounds / SCHEMBL296643

SCHEMBL296643

SCHEMBL296643

CN(Cc1ccc(C(F)(F)F)c(F)c1)C(=O)C(F)(CCN1CCC(N(C)S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 4/20 0.59
▸ TACR2 P21452 3/20 0.59
▸ TACR1 P25103 3/20 0.59
▸ KCNH2 Q12809 4/20 0.41
▸ GPR119 Q8TDV5 4/20 0.41
▸ GPR183 P32249 1/20 0.37
▸ CCR2 P41597 7/20 0.36
▸ CCR5 P51681 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ DDR1 Q08345 1/20 0.35

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
SCHEMBL296502 0.94 TACR3 (0.68) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296863 0.93 TACR2 (0.59) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296042 0.93 TACR3 (0.56) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296921 0.92 TACR3 (0.71) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL297619 0.89 TACR3 (0.56) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296644 0.89 TACR3 (0.55) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL295923 0.85 TACR3 (0.81) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL297399 0.85 TACR3 (0.70) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL3271088 0.85 TACR3 (0.80) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296791 0.84 TACR3 (0.72) TACR3TACR2TACR1KCNH2GPR119

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
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-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
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 — — WO 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 95/4885TACR2 21/4885TACR1 26/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885TACR2 21/4885TACR1 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.