SCHEMBL3386763

SCHEMBL3386763

O=C(c1ccc2[nH]ccc2c1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.62
GPR183 P32249 1/20 0.60
GHSR Q92847 2/20 0.54
FASN P49327 1/20 0.54
KDR P35968 1/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
MGLL Q99685 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
NUDT15 Q9NV35 1/20 0.51
OXTR P30559 1/20 0.50
CCR3 P51677 1/20 0.49

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
SCHEMBL30066210 1.00 MAPK14 (0.62) MAPK14GPR183GHSRFASNKDR
SCHEMBL3235960 0.90 GHSR (0.67) MAPK14GPR183GHSRHRH4HRH3
SCHEMBL29990457 0.90 GHSR (0.67) MAPK14GPR183GHSRHRH4HRH3
SCHEMBL31435010 0.89 MAPK14 (0.59) MAPK14GPR183GHSRFASNDRD2
SCHEMBL8534513 0.88 MAPK14 (0.64) MAPK14GPR183GHSRFASNDRD2
SCHEMBL30226931 0.88 MAPK14 (0.64) MAPK14GPR183GHSRFASNDRD2
SCHEMBL22216445 0.88 MAPK14 (0.64) MAPK14GPR183GHSRFASNDRD2
SCHEMBL30329646 0.88 MAPK14 (0.64) MAPK14GPR183GHSRFASNDRD2
SCHEMBL2214616 0.87 MAPK14 (0.63) MAPK14GPR183GHSRFASNDRD2
SCHEMBL3457123 0.87 MAPK14 (0.63) MAPK14GPR183GHSRFASNDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN disclosed
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN disclosed
EP-2118057-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
EP-2029534-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
US-7432255-B2 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-07 US disclosed
WO-2008095820-A1 (INDOL-4-YL)- OR (INDOL-5-YL)-PIPERAZINYLMETHANONE DERIVATIVES FOR THE TREATMENT OF OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
WO-2007131907-A2 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 US disclosed
US-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HOFFMANN-LA ROCHE INC. 2007-11-22 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 (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-20070270423-A1 IH-indol-5-YL-piperazin-1-YL-methanone derivatives HRH4, HRH2, HRH3 MAPK14 3279/4885GPR183 168/4885GHSR 164/4885

“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.