Sugi Predict

Sugi Predict / Compounds / SCHEMBL296701

SCHEMBL296701

SCHEMBL296701

Cc1ccc(CN(C)C(=O)C(C)(CCN2CCC(NS(C)(=O)=O)CC2)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.56
▸ TACR2 P21452 3/20 0.56
▸ TACR1 P25103 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCR3 P51677 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ HRH1 P35367 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR2 P41597 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
SCHEMBL297667 0.94 TACR3 (0.59) TACR3TACR2TACR1CCR3KCNH2
SCHEMBL296958 0.94 TACR3 (0.60) TACR3TACR2TACR1CCR3KCNH2
SCHEMBL297970 0.93 TACR3 (0.61) TACR3TACR2TACR1KCNH2SMO
SCHEMBL297528 0.90 TACR3 (0.53) TACR3TACR2TACR1CCR3KCNH2
SCHEMBL296897 0.89 TACR2 (0.48) TACR3TACR2TACR1SMN1; SMN2L3MBTL1
SCHEMBL297936 0.89 TACR3 (0.68) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL299938 0.89 TACR3 (0.57) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL296586 0.87 TACR3 (0.59) TACR3TACR2TACR1SIGMAR1CCR5
SCHEMBL297234 0.87 TACR3 (0.76) TACR3TACR2TACR1KCNH2SMO
SCHEMBL294866 0.87 TACR3 (0.67) TACR3TACR2TACR1KCNH2CACNA1I

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.