Sugi Predict

Sugi Predict / Compounds / SCHEMBL392923

SCHEMBL392923

SCHEMBL392923

Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)O)(c4ccc(F)cn4)CC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ TACR3 P29371 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FASN P49327 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ ATR Q13535 1/20 0.37
▸ STAT3 P40763 2/20 0.37
▸ USP7 Q93009 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.36
▸ CLPP Q16740 1/20 0.36

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
SCHEMBL3092665 0.89 TACR3 (0.41) TACR3CYP1A2CYP2C9CYP2C19FASN
SCHEMBL378186 0.87 TACR3 (0.46) TACR3CYP1A2CYP2C9CYP2C19FASN
SCHEMBL3109100 0.86 MGLL (0.45) CNR1TACR3GRM5STAT3MEN1
SCHEMBL7910840 0.85 TACR3 (0.38) TACR3CYP1A2CYP2C9CYP2C19FASN
SCHEMBL3103856 0.84 SLC6A7 (0.50) CNR1FASNGRM5USP7MEN1
SCHEMBL378371 0.81 CA12 (0.47) TACR3FASNGPR119ATRTBK1
SCHEMBL396160 0.77 OPRM1 (0.53) TACR3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL378777 0.77 TACR3 (0.40) TACR3CYP1A2CYP2C9CYP2C19GPR119
SCHEMBL13092365 0.76 TACR3 (0.42) TACR3CYP1A2CYP2C9CYP2C19FASN
SCHEMBL379082 0.75 CA12 (0.47) TACR3CYP2C9CYP2C19GPR119TBK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US claimed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 — — EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 — — WO 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 (1 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 CNR1 354/4885TACR3 41/4885CYP1A2 1366/4885

“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.