SCHEMBL613618

SCHEMBL613618

COc1ccccc1C1CCN(C(=O)c2cn(CC(=O)O)c3cc(Cl)ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR1 P21554 1/20 0.47
AVPR1A P37288 6/20 0.46
MGLL Q99685 1/20 0.44
MCL1 Q07820 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL615056 0.91 AVPR1A (0.57) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL613528 0.91 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL615061 0.90 CNR1 (0.47) MEN1KMT2AALDH1A1MAPTCNR1
SCHEMBL3046434 0.89 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL613480 0.89 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL615558 0.89 AVPR1A (0.58) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL615240 0.89 MGLL (0.47) MEN1KMT2ACNR1AVPR1AMGLL
SCHEMBL612386 0.89 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL613260 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL614143 0.88 AVPR1A (0.57) MEN1KMT2AALDH1A1MAPTNPSR1

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
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US 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
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP 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

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 MEN1 1220/4885KMT2A 1967/4885ALDH1A1 1370/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MEN1 1220/4885KMT2A 1967/4885ALDH1A1 1370/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MEN1 1220/4885KMT2A 1967/4885ALDH1A1 1370/4885

“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.