SCHEMBL186527

SCHEMBL186527

O=C(CN1CC2CC1CN2c1ccc(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 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.35
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
CNR1 P21554 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CHRNA7 P36544 1/20 0.32
KCNH2 Q12809 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
GRIN2B Q13224 1/20 0.31
SOS1 Q07889 1/20 0.31
EPHX2 P34913 1/20 0.31
NOTUM Q6P988 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
SCHEMBL186413 0.94 TRPV1 (0.35) TRPV1LIMK1LIMK2CNR1CA12
SCHEMBL187448 0.87 TRPV1 (0.41) TRPV1
SCHEMBL186049 0.86 MAPT (0.41) TRPV1LIMK1LIMK2CNR1MMP2
SCHEMBL186459 0.84 TRPV1 (0.39) TRPV1LIMK1LIMK2GRIN2B
SCHEMBL187013 0.78 TRPV1 (0.39) TRPV1LIMK1LIMK2GRIN2B
SCHEMBL187078 0.77 TRPV1 (0.41) TRPV1CNR1
SCHEMBL2178678 0.77 JAK1 (0.34)
SCHEMBL186938 0.74 GRIN2B (0.39) TRPV1KCNH2GRIN2B
SCHEMBL186668 0.73 CCNC (0.44) TRPV1LIMK1LIMK2NOTUM
SCHEMBL185625 0.73 CNR1 (0.46) TRPV1LIMK1LIMK2CNR1MMP2

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
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

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.