SCHEMBL612995

SCHEMBL612995

COc1cccc(OC)c1C1CCN(C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
CNR1 P21554 1/20 0.55
CREBBP Q92793 3/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL612410 0.89 AVPR1A (0.57) KMT2ACNR1CREBBPRAB9ANPC1
SCHEMBL614417 0.85 KMT2A (0.46) KMT2ACNR1CREBBPRAB9ANPC1
SCHEMBL27737041 0.84 CNR1 (0.49) KMT2ACNR1GAALMNA
SCHEMBL27737042 0.83 CNR1 (0.48) KMT2ACNR1MEN1GAA
SCHEMBL615558 0.81 AVPR1A (0.58) KMT2ACNR1CREBBPRAB9ANPC1
SCHEMBL615468 0.79 AVPR1A (0.47) KMT2ACNR1CREBBPRAB9ANPC1
SCHEMBL615061 0.76 CNR1 (0.47) KMT2ACNR1NPC1MEN1TSHR
SCHEMBL615173 0.76 CNR1 (0.47) KMT2ACNR1NPC1MEN1TSHR
SCHEMBL615323 0.74 AVPR1A (0.45) KMT2ACNR1NPC1MEN1TSHR
SCHEMBL615877 0.74 AVPR1A (0.61) POLBMAPK1LMNA

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 16 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
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 KMT2A 1967/4885CNR1 31/4885CREBBP 3043/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR KMT2A 1967/4885CNR1 31/4885CREBBP 3043/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR KMT2A 1967/4885CNR1 31/4885CREBBP 3043/4885

“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.