Sugi Predict

Sugi Predict / Compounds / SCHEMBL378763

SCHEMBL378763

SCHEMBL378763

Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)(C4CCCCC4)CC3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CLPP Q16740 1/20 0.39
▸ F11 P03951 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TBK1 Q9UHD2 2/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ MC4R P32245 4/20 0.37
▸ MC5R P33032 4/20 0.37
▸ MC3R P41968 4/20 0.37
▸ MC1R Q01726 4/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL378826 0.99 TACR3 (0.41) TACR3CYP1A2CYP2C9CYP2C19KIT
SCHEMBL7908887 0.88 GRM5 (0.45) TACR3KITGRM5CLPPMAPT
SCHEMBL7912435 0.88 KIT (0.45) KITMAPTMC4RMC5RMC3R
SCHEMBL13092275 0.87 GRM5 (0.45) TACR3KITGRM5CLPPMAPT
SCHEMBL378853 0.87 KIT (0.46) KITMAPTMC4RMC5RMC3R
SCHEMBL7907548 0.87 NPC1 (0.42) KITGRM5CLPPMAPTMC4R
SCHEMBL379355 0.85 TACR3 (0.41) TACR3CYP1A2CYP2C9CYP2C19KIT
SCHEMBL378669 0.83 TACR1 (0.41) TACR3CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3095455 0.81 P2RX3 (0.44) TACR3CYP1A2CYP2C9CYP2C19TBK1
SCHEMBL7910840 0.81 TACR3 (0.38) TACR3CYP1A2CYP2C9CYP2C19KIT

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-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 — — EP 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
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
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 TACR3 41/4885CYP1A2 1366/4885CYP2C9 2094/4885

“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.