SCHEMBL12539752

SCHEMBL12539752

COC(=O)c1cc2cc(C3=CCN(C(=O)CN4[C@H](C)CN(c5ccc(C(F)(F)F)cn5)C[C@@H]4C)CC3)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.40
HSD11B1 P28845 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EGFR P00533 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SOS1 Q07889 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
SCHEMBL16857997 0.90 TRPV1 (0.39) TRPV1HSD11B1GPR119SMN1; SMN2HPGD
SCHEMBL12539683 0.89 SMN1; SMN2 (0.40) TRPV1HSD11B1GPR119SMN1; SMN2HPGD
SCHEMBL2193485 0.87 GPR119 (0.41) TRPV1HSD11B1GPR119SMN1; SMN2HPGD
SCHEMBL2193494 0.87 GPR119 (0.41) TRPV1HSD11B1GPR119SMN1; SMN2HPGD
SCHEMBL12539873 0.87 HSD11B1 (0.39) TRPV1HSD11B1GPR119SMN1; SMN2HPGD
SCHEMBL12539903 0.86 HCRTR1 (0.39) TRPV1HSD11B1SMN1; SMN2HPGDKDM4E
SCHEMBL12539803 0.83 NPC1 (0.36) HRH3
SCHEMBL12539913 0.80 NPC1 (0.36) HRH3
SCHEMBL2179426 0.79 SMN1; SMN2 (0.45) HSD11B1GPR119SMN1; SMN2HPGDKDM4E
SCHEMBL2180123 0.78 SMN1; SMN2 (0.41) TRPV1HSD11B1GPR119SMN1; SMN2HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513088-B1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-07-01 EP claimed
US-8906924-B2 (heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2014-12-09 US claimed
US-20130303520-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2013-11-14 US claimed
US-8518947-B2 (Heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2013-08-27 US claimed
US-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US claimed
US-8906924-B2 (heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2014-12-09 US disclosed
US-20130303520-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2013-11-14 US disclosed
US-8518947-B2 (Heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2013-08-27 US disclosed
US-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 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 (2 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-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 TRPV1 1466/4885HSD11B1 3941/4885GPR119 2498/4885
US-20130303520-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 TRPV1 1466/4885HSD11B1 3941/4885GPR119 2498/4885

“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.