SCHEMBL612504

SCHEMBL612504

COc1cccc(OC)c1C1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.68
NR4A2 P43354 1/20 0.49
OXTR P30559 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.46
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MAPK14 Q16539 1/20 0.43
TP53 P04637 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
SCHEMBL613085 0.89 AVPR1A (0.70) AVPR1ANR4A2OXTRMEN1KMT2A
SCHEMBL615518 0.82 AVPR1A (0.85) AVPR1ANR4A2OXTR
SCHEMBL614997 0.81 AVPR1A (1.00) AVPR1AOXTRMAPK14
SCHEMBL612409 0.81 AVPR1A (0.66) AVPR1ANR4A2OXTRMEN1KMT2A
SCHEMBL612482 0.81 AVPR1A (0.77) AVPR1AMEN1KMT2ANPC1ALOX15
SCHEMBL613536 0.79 AVPR1A (0.80) AVPR1ANR4A2OXTR
SCHEMBL615540 0.79 AVPR1A (0.80) AVPR1AOXTRPSEN1PSEN2APH1B
SCHEMBL613298 0.79 AVPR1A (0.66) AVPR1AOXTRMEN1KMT2AMGLL
SCHEMBL614897 0.78 AVPR1A (0.75) AVPR1ANR4A2OXTRMGLLMAPK14
SCHEMBL615021 0.78 AVPR1A (0.71) AVPR1AOXTR

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN claimed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP claimed
JP-2009502859-A 2009-01-29 JP claimed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN claimed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP claimed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO claimed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US claimed
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
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
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US 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-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 AVPR1A 1/4885NR4A2 1606/4885OXTR 3/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885NR4A2 1606/4885OXTR 3/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885NR4A2 1606/4885OXTR 3/4885

“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.