SCHEMBL289605

SCHEMBL289605

O=C(c1c[nH]c2ccccc12)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.74
GFER P55789 1/20 0.70
HTT P42858 2/20 0.65
MAPK14 Q16539 1/20 0.65
RAB9A P51151 1/20 0.64
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.58
GPR84 Q9NQS5 1/20 0.57
AVPR1A P37288 1/20 0.57
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
THPO P40225 1/20 0.56
PMP22 Q01453 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL1144650 0.86 GFER (0.68) POLBGFERHTTMAPK14RAB9A
SCHEMBL28481273 0.86 GFER (0.68) POLBGFERHTTMAPK14RAB9A
SCHEMBL9597148 0.85 ALDH1A1 (0.62) POLBGFERHTTMAPK14RAB9A
SCHEMBL20181880 0.85 ALDH1A1 (0.75) POLBGFERHTTMAPK14RAB9A
SCHEMBL8708978 0.85 GFER (0.67) POLBGFERHTTMAPK14RAB9A
SCHEMBL8707863 0.85 GFER (0.67) POLBGFERHTTMAPK14RAB9A
SCHEMBL9410743 0.85 GFER (0.71) POLBGFERHTTMAPK14RAB9A
SCHEMBL3849918 0.85 POLB (1.00) POLBRAB9AKMT2AALDH1A1KDM4E
SCHEMBL948677 0.85 GFER (0.71) POLBGFERHTTMAPK14RAB9A
SCHEMBL27836016 0.84 GFER (0.59) POLBGFERHTTMAPK14RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN disclosed
EP-2392571-A3 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
EP-2392571-A3 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A3 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-05-31 WO disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
WO-1998028292-A1 NOVEL PIPERIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-02 WO disclosed
CN-1087339-A Piperidine derivative and preparation thereof and the application in medical treatment SYNTHELABO (FR) 1994-06-01 CN 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR POLB 3988/4885GFER 3417/4885HTT 741/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR POLB 3988/4885GFER 3417/4885HTT 741/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR POLB 3988/4885GFER 3417/4885HTT 741/4885

“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.