SCHEMBL186413

SCHEMBL186413

O=C(CN1CC2CCC1CN2c1ccc(C(F)(F)F)nn1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.35
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
SOS1 Q07889 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL186527 0.94 TRPV1 (0.35) TRPV1LIMK1LIMK2CA12CA1
SCHEMBL187013 0.84 TRPV1 (0.39) TRPV1LIMK1LIMK2MAPK1HSD11B1
SCHEMBL187448 0.81 TRPV1 (0.41) TRPV1
SCHEMBL186049 0.80 MAPT (0.41) TRPV1LIMK1LIMK2CNR1MMP2
SCHEMBL186459 0.78 TRPV1 (0.39) TRPV1LIMK1LIMK2MAPK1
SCHEMBL186668 0.76 CCNC (0.44) TRPV1LIMK1LIMK2CCNCCDK8
SCHEMBL186795 0.75 TRPV1 (0.39) TRPV1LIMK1LIMK2CNR1MAPK1
SCHEMBL185519 0.75 TRPV1 (0.39) TRPV1LIMK1LIMK2MAPK1HSD11B1
SCHEMBL186121 0.75 TRPV1 (0.42) TRPV1
SCHEMBL187250 0.74 TRPV1 (0.41) TRPV1LIMK1LIMK2CNR1MAPK1

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
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-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
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-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
US-20110139035-A1 Aqueous Dispersions of Hydrophobic Silicic Acids WACKER CHEMIE AG (DE) 2011-06-16 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-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 TRPV1 1056/4885LIMK1 1802/4885LIMK2 1521/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 TRPV1 1056/4885LIMK1 1802/4885LIMK2 1521/4885

“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.