SCHEMBL613004

SCHEMBL613004

NC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3OC(F)(F)F)CC2)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
ENPP2 Q13822 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
RBP4 P02753 2/20 0.42
IDO1 P14902 1/20 0.42
AVPR1A P37288 5/20 0.42
TPSAB1 Q15661 5/20 0.41
SLC9A1 P19634 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL615240 0.92 MGLL (0.47) MGLLMEN1KMT2ACNR1RBP4
SCHEMBL614586 0.90 MGLL (0.46) MGLLMEN1KMT2ACNR1RBP4
SCHEMBL614701 0.90 AVPR1A (0.44) MGLLMEN1KMT2ACNR1RBP4
SCHEMBL613570 0.90 AVPR1A (0.54) MGLLENPP2MEN1KMT2ACNR1
SCHEMBL614569 0.88 AVPR1A (0.47) MGLLENPP2MEN1KMT2ACNR1
SCHEMBL614911 0.88 AVPR1A (0.45) MGLLMEN1KMT2ACNR1RBP4
SCHEMBL613022 0.88 AVPR1A (0.56) MGLLMEN1KMT2ACNR1RBP4
SCHEMBL612849 0.87 RBP4 (0.56) ENPP2RBP4SLC9A1
SCHEMBL615132 0.87 CNR1 (0.47) MGLLENPP2CNR1RBP4AVPR1A
SCHEMBL615011 0.86 AVPR1A (0.48) MGLLMEN1KMT2ACNR1RBP4

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 18 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
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
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
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 MGLL 4799/4885ENPP2 2218/4885MEN1 1220/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MGLL 4799/4885ENPP2 2218/4885MEN1 1220/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR MGLL 4799/4885ENPP2 2218/4885MEN1 1220/4885

“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.