Sugi Predict

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SCHEMBL296897

SCHEMBL296897

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.48
▸ TACR1 P25103 3/20 0.48
▸ TACR3 P29371 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCR3 P51677 2/20 0.37
▸ SMO Q99835 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ CCR2 P41597 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL297276 0.94 TACR3 (0.51) TACR2TACR1TACR3SMOCCR5
SCHEMBL922238 0.94 TACR2 (0.51) TACR2TACR1TACR3SMOCCR5
SCHEMBL296183 0.91 TACR2 (0.56) TACR2TACR1TACR3SMOCCR5
SCHEMBL296701 0.89 TACR3 (0.56) TACR2TACR1TACR3SMN1; SMN2L3MBTL1
SCHEMBL297006 0.89 TACR3 (0.49) TACR2TACR1TACR3CCR5UBE2M
SCHEMBL297869 0.88 TACR3 (0.64) TACR2TACR1TACR3SMOCCR5
SCHEMBL297619 0.88 TACR3 (0.56) TACR2TACR1TACR3SMOCCR5
SCHEMBL297435 0.87 TACR3 (0.58) TACR2TACR1TACR3SMOCCR5
SCHEMBL296043 0.87 TACR3 (0.51) TACR2TACR1TACR3CCR3CCR5
SCHEMBL297970 0.85 TACR3 (0.61) TACR2TACR1TACR3SMOCCR1

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 7 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
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 TACR2 21/4885TACR1 26/4885TACR3 95/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR2 21/4885TACR1 26/4885TACR3 95/4885

“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.