SCHEMBL613526

SCHEMBL613526

O=C(O)Cn1cc(C(=O)N2CCC(c3ccccc3F)CC2)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
AVPR1A P37288 7/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
RBP4 P02753 2/20 0.42
MGLL Q99685 1/20 0.41
TPSAB1 Q15661 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL615132 0.93 CNR1 (0.47) CNR1AVPR1ARBP4MGLLTPSAB1
SCHEMBL615864 0.89 AVPR1A (0.59) CNR1AVPR1ARBP4MGLLTPSAB1
SCHEMBL612430 0.89 AVPR1A (0.48) CNR1AVPR1ARBP4MGLLTPSAB1
SCHEMBL614871 0.89 AVPR1A (0.47) CNR1AVPR1ARBP4MGLLTPSAB1
SCHEMBL613346 0.88 RBP4 (0.56) RBP4
Hydrochloric Acid SCHEMBL3045166 0.88 CNR1 (0.48) CNR1AVPR1ARBP4MGLLTPSAB1
SCHEMBL615814 0.88 AVPR1A (0.48) CNR1AVPR1ARBP4ALDH1A1MAPT
SCHEMBL615490 0.88 AVPR1A (0.60) CNR1AVPR1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL613177 0.87 AVPR1A (0.48) CNR1AVPR1ARBP4ALDH1A1MAPT
SCHEMBL613475 0.87 AVPR1A (0.51) CNR1AVPR1ARBP4TPSAB1ALDH1A1

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 CNR1 31/4885AVPR1A 1/4885PTGDR2 200/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR CNR1 31/4885AVPR1A 1/4885PTGDR2 200/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR CNR1 31/4885AVPR1A 1/4885PTGDR2 200/4885

“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.