SCHEMBL186388

SCHEMBL186388

O=C(CN1CC2CCC(C1)N2c1ncc(F)cn1)N1CC=C(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
MAPK1 P28482 1/20 0.36
CDK9 P50750 5/20 0.36
CCNT1 O60563 4/20 0.36
PTPN11 Q06124 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
P2RX7 Q99572 1/20 0.35
JAK1 P23458 2/20 0.35
EED O75530 2/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
GRIN2B Q13224 2/20 0.34

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
SCHEMBL300739 0.85 CNR1 (0.45) MAPK1NAMPT
SCHEMBL186206 0.85 SLC6A7 (0.44) MAPK1KDM4EGRIN2BNAMPT
SCHEMBL2175353 0.84 MAPK1 (0.35) MAPK1CDK9CCNT1JAK1EED
SCHEMBL2179368 0.84 EED (0.37) MAPK1CDK9CCNT1JAK1EED
SCHEMBL186594 0.82 MEN1 (0.40) MAPK1CDK9CCNT1GRIN2BNAMPT
SCHEMBL2179315 0.81 MAPT (0.45) KDM4EALOX15
SCHEMBL2176291 0.81 CCNT1 (0.36) PARP1MAPK1CDK9CCNT1JAK1
SCHEMBL2176283 0.81 SLC27A1 (0.38) PARP1MAPK1CDK9CCNT1JAK1
SCHEMBL185941 0.80 TRPV1 (0.40) PARP1MAPK1GRIN2BNAMPT
SCHEMBL186244 0.80 MAPK1 (0.39) MAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193190-B2 Derivatives of (bridged piperazinyl)-1-alkanone and use thereof as p75 inhibitors SANOFI-AVENTIS (FR) 2012-06-05 US claimed
EP-2297148-B8 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-03-28 EP claimed
EP-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP claimed
US-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2297148-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS Sanofi-Aventis (FR) 2011-03-23 EP claimed
WO-2009150388-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2009-12-17 WO claimed
US-8519143-B2 Derivatives of (bridged piperazinyl)-1-alkanone and use thereof as p75 inhibitors SANOFI (FR) 2013-08-27 US disclosed
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS SANOFI-AVENTIS (FR) 2012-09-13 US disclosed
US-8193190-B2 Derivatives of (bridged piperazinyl)-1-alkanone and use thereof as p75 inhibitors SANOFI-AVENTIS (FR) 2012-06-05 US disclosed
EP-2297148-B8 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-03-28 EP disclosed
EP-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP disclosed
US-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2297148-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS Sanofi-Aventis (FR) 2011-03-23 EP disclosed
WO-2009150388-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2009-12-17 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-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 PARP1 590/4885MAPK1 981/4885CDK9 2430/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 PARP1 590/4885MAPK1 981/4885CDK9 2430/4885

“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.