SCHEMBL615030

SCHEMBL615030

O=C(c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.60
MAPT P10636 10/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 3/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PHGDH O43175 1/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 5/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL615357 0.85 AVPR1A (0.76) AVPR1AMAPTL3MBTL1GAAMAPK1
SCHEMBL615561 0.78 AVPR1A (0.67) AVPR1AMAPTL3MBTL1NPSR1LMNA
SCHEMBL614990 0.76 AVPR1A (0.70) AVPR1AALDH1A1KMT2AMEN1HPGD
SCHEMBL28322333 0.76 MAPT (0.69) MAPTL3MBTL1GAAMAPK1NPSR1
SCHEMBL8985868 0.76 GFER (0.56) AVPR1AMAPTL3MBTL1NPSR1LMNA
SCHEMBL612438 0.75 AVPR1A (1.00) AVPR1AMAPTGAAHTT
SCHEMBL15911569 0.75 MAPT (0.67) MAPTL3MBTL1GAAMAPK1NPSR1
SCHEMBL613531 0.75 AVPR1A (0.82) AVPR1AMAPK1NPSR1ALDH1A1KMT2A
SCHEMBL614602 0.72 AVPR1A (0.70) AVPR1A
SCHEMBL615324 0.72 AVPR1A (0.67) AVPR1AMAPTMAPK1LMNAKMT2A

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
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US claimed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US 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
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-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
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

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 1/4885MAPT 4078/4885L3MBTL1 4343/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885MAPT 4078/4885L3MBTL1 4343/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885MAPT 4078/4885L3MBTL1 4343/4885

“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.