SCHEMBL613252

SCHEMBL613252

COc1ccccc1C1CCN(C(=O)c2c3n(c4ccccc24)CCN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TP53 P04637 3/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
PDE4B Q07343 1/20 0.39
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CNR2 P34972 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL614745 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL4854592 0.80 MEN1 (0.64) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL613000 0.79 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL612519 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL613287 0.78 CHRM2 (0.49) CHRM4CHRM2CHRM1CHRM3CNR2
SCHEMBL25044033 0.75 MEN1 (0.59) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL614943 0.75 HTR2A (0.53) CHRM4CHRM2CHRM1CHRM3CNR2
SCHEMBL4360928 0.72 AVPR1A (0.53) CHRM4CHRM2CHRM1CHRM3
SCHEMBL4360926 0.72 AVPR1A (0.53) CHRM4CHRM2CHRM1CHRM3
SCHEMBL19297154 0.71 PDE4B (0.51) MEN1KMT2ATP53ALDH1A1MAPT

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 17 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
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
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
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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US 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
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 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
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
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US 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 1967/4885TP53 3918/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MEN1 1220/4885KMT2A 1967/4885TP53 3918/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MEN1 1220/4885KMT2A 1967/4885TP53 3918/4885

“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.