SCHEMBL186996

SCHEMBL186996

O=C(CN1CC2CCC(C1)N2c1ncc(Br)cn1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.39
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
GRIN2B Q13224 4/20 0.35
NAMPT P43490 2/20 0.35
MAPK1 P28482 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
SCHEMBL185941 0.93 TRPV1 (0.40) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL300615 0.92 TRPV1 (0.40) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL187250 0.91 TRPV1 (0.41) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL300746 0.89 TRPV1 (0.37) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL1980874 0.89 ATM (0.39) TRPV1LIMK1LIMK2NAMPTMAPK1
SCHEMBL18576998 0.88 TRPV1 (0.40) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL185770 0.86 TRPV1 (0.39) TRPV1LIMK1LIMK2NAMPTMAPK1
SCHEMBL186795 0.86 TRPV1 (0.39) TRPV1LIMK1LIMK2GRIN2BNAMPT
SCHEMBL187553 0.86 TRPV1 (0.38) TRPV1LIMK1LIMK2NAMPTMAPK1
SCHEMBL186236 0.85 TRPV1 (0.39) TRPV1LIMK1LIMK2GRIN2BNAMPT

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 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.