Sugi Predict

Sugi Predict / Compounds / SCHEMBL296958

SCHEMBL296958

SCHEMBL296958

CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(CCN1CCC(NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 4/20 0.60
▸ TACR2 P21452 3/20 0.60
▸ TACR1 P25103 3/20 0.60
▸ SIGMAR1 Q99720 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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 0.95 TACR3 (0.59) TACR3TACR2TACR1SIGMAR1KCNH2
SCHEMBL296701 0.94 TACR3 (0.56) TACR3TACR2TACR1SIGMAR1KCNH2
SCHEMBL297970 0.93 TACR3 (0.61) TACR3TACR2TACR1SIGMAR1KCNH2
SCHEMBL297936 0.93 TACR3 (0.68) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL299938 0.93 TACR3 (0.57) TACR3TACR2TACR1SIGMAR1KCNH2
SCHEMBL296586 0.91 TACR3 (0.59) TACR3TACR2TACR1SIGMAR1ALDH1A1
SCHEMBL297232 0.91 TACR3 (0.58) TACR3TACR2TACR1SIGMAR1KCNH2
SCHEMBL300164 0.91 TACR3 (0.67) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL294866 0.91 TACR3 (0.67) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL935032 0.91 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 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 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.