SCHEMBL612487

SCHEMBL612487

CCN(C(=O)Cn1cc(C(=O)O)c2ccc(Cl)cc21)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.44
MAPT P10636 1/20 0.41
CPT1A P50416 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
PLK1 P53350 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MCL1 Q07820 1/20 0.38
P2RX3 P56373 1/20 0.37
LMNA P02545 1/20 0.37
HTR6 P50406 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL612485 0.87 AVPR1A (0.54) AVPR1ACPT1APTGDR2CNR1CNR2
SCHEMBL2642676 0.80 KDM4E (0.48) CPT1ACNR1CNR2LMNAKMT2A
SCHEMBL2642993 0.77 CNR2 (0.48) CPT1ACNR1CNR2MCL1CA1
SCHEMBL613579 0.77 CPT1A (0.45) AVPR1AMAPTCPT1APTGDR2CNR1
SCHEMBL3098967 0.77 HTR6 (0.59) AVPR1ACPT1ACNR1CNR2MCL1
SCHEMBL2642659 0.75 CNR2 (0.51) CNR1CNR2
SCHEMBL612486 0.75 AVPR1A (0.58) AVPR1AMAPTCPT1AHTR6KMT2A
SCHEMBL2643380 0.74 CNR2 (0.56) CNR1CNR2
SCHEMBL2644030 0.74 CPT1A (0.44) MAPTCPT1APTGDR2CNR1CNR2
SCHEMBL614716 0.73 AVPR1A (0.51) AVPR1ALMNAKMT2A

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 7 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
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-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
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 4078/4885CPT1A 386/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR AVPR1A 1/4885MAPT 4078/4885CPT1A 386/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR AVPR1A 1/4885MAPT 4078/4885CPT1A 386/4885

“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.