SCHEMBL2179911

SCHEMBL2179911

COc1ccc(-n2cc3c(n2)CCN(C(=O)CN2CCN(c4ccc(C(F)(F)F)cn4)C(=O)C2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
IDE P14735 1/20 0.35
LIPE Q05469 1/20 0.34
KDR P35968 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CCR1 P32246 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2180264 0.91 PDK2 (0.41) PDK2MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2178847 0.90 PDK2 (0.39) PDK2HTTMAPTSMN1; SMN2KDM4E
SCHEMBL2179729 0.89 PDK2 (0.36) PDK2HTTMAPTNPSR1SCN9A
SCHEMBL12541037 0.84 HTT (0.39) HTTMAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL2181862 0.84 SMN1; SMN2 (0.38) MAPTNPSR1SCN9ASMN1; SMN2KDM4E
SCHEMBL12541312 0.82 ALDH1A1 (0.37) HTTMAPTNPSR1SCN9ASMN1; SMN2
SCHEMBL15372849 0.80 DPP4 (0.44) HTTMAPTSCN9ASMN1; SMN2KDM4E
SCHEMBL12540526 0.79 SMN1; SMN2 (0.46) PDK2HTTMAPTNPSR1SMN1; SMN2
SCHEMBL2178895 0.75 SMN1; SMN2 (0.35) HTTMAPTNPSR1SCN9ASMN1; SMN2
SCHEMBL2179396 0.75 LMNA (0.39) HTTMAPTNPSR1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP claimed
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2014-02-06 US claimed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US claimed
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP disclosed
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2014-02-06 US disclosed
EP-2513108-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 EP disclosed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 WO 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-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF PDK2 314/4885HTT 1778/4885MAPT 3165/4885
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF PDK2 301/4885HTT 1833/4885MAPT 3214/4885

“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.