SCHEMBL300697

SCHEMBL300697

O=C(CN1CC2CCC(C1)N2c1cnc2ccccc2c1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.42
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 5/20 0.37
GRIN2B Q13224 5/20 0.37
NAMPT P43490 1/20 0.36
CCR3 P51677 1/20 0.35
CNR1 P21554 1/20 0.35
HTR1A P08908 1/20 0.34
P2RX7 Q99572 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 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
SCHEMBL185770 0.87 TRPV1 (0.39) MAPK1TRPV1NAMPT
SCHEMBL186522 0.87 PDE10A (0.38) MTORMAPK1TRPV1NAMPTCNR1
SCHEMBL186739 0.87 TRPV1 (0.39) MAPK1TRPV1GRIN2B
SCHEMBL186668 0.87 CCNC (0.44) MAPK1TRPV1NAMPT
SCHEMBL187553 0.86 TRPV1 (0.38) MAPK1TRPV1NAMPT
SCHEMBL186422 0.85 NAMPT (0.38) MAPK1TRPV1NAMPTCNR1P2RX7
SCHEMBL187250 0.85 TRPV1 (0.41) MAPK1TRPV1GRIN2BNAMPTCNR1
SCHEMBL186012 0.84 MAPT (0.44) MAPK1TRPV1NAMPTCNR1
SCHEMBL185941 0.83 TRPV1 (0.40) MAPK1TRPV1GRIN2BNAMPTPARP1
SCHEMBL186996 0.83 TRPV1 (0.39) MAPK1TRPV1GRIN2BNAMPT

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 7 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
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 MTOR 2620/4885MAPK1 981/4885TRPV1 1056/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 MTOR 2620/4885MAPK1 981/4885TRPV1 1056/4885

“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.