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SCHEMBL297970

SCHEMBL297970

CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)(CCN1CCC(NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.61
▸ TACR2 P21452 3/20 0.61
▸ TACR1 P25103 3/20 0.61
▸ KCNH2 Q12809 3/20 0.40
▸ GPR119 Q8TDV5 3/20 0.40
▸ CCR1 P32246 2/20 0.40
▸ SMO Q99835 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ SLC6A5 Q9Y345 2/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ TEAD1 P28347 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 0.94 TACR3 (0.59) TACR3TACR2TACR1KCNH2CCR1
SCHEMBL296958 0.93 TACR3 (0.60) TACR3TACR2TACR1KCNH2SIGMAR1
SCHEMBL297936 0.93 TACR3 (0.68) TACR3TACR2TACR1KCNH2SMO
SCHEMBL296701 0.93 TACR3 (0.56) TACR3TACR2TACR1KCNH2SMO
SCHEMBL296317 0.92 TACR3 (0.58) TACR3TACR2TACR1SIGMAR1UBE2M
SCHEMBL297276 0.91 TACR3 (0.51) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL297234 0.91 TACR3 (0.76) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL300164 0.91 TACR3 (0.67) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL294866 0.91 TACR3 (0.67) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL935032 0.91 TACR3 (0.67) 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.