SCHEMBL1974891

SCHEMBL1974891

COC(=O)c1ccc(N2C3CCC2CN(CC(=O)N2CC=C(c4ccc(Cl)c(C(F)(F)F)c4)CC2)C3)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 11/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
NOTUM Q6P988 1/20 0.35
RET P07949 1/20 0.35
NAMPT P43490 2/20 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
SCHEMBL1980205 0.93 TRPV1 (0.44) L3MBTL1TRPV1LIMK1LIMK2RET
SCHEMBL1980874 0.91 ATM (0.39) ATML3MBTL1TRPV1PDGFRBKDR
SCHEMBL300628 0.91 TRPV1 (0.39) TRPV1LIMK1LIMK2RETNAMPT
SCHEMBL186423 0.91 TRPV1 (0.37) TRPV1LIMK1LIMK2RETNAMPT
SCHEMBL186795 0.89 TRPV1 (0.39) TRPV1LIMK1LIMK2RETNAMPT
SCHEMBL185519 0.88 TRPV1 (0.39) TRPV1LIMK1LIMK2CCNT1CDK9
SCHEMBL186121 0.88 TRPV1 (0.42) TRPV1
SCHEMBL186908 0.87 TRPV1 (0.42) TRPV1LIMK1LIMK2NAMPT
SCHEMBL186194 0.85 TRPV1 (0.41) TRPV1
SCHEMBL186012 0.85 MAPT (0.44) TRPV1LIMK1LIMK2NAMPT

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 6 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
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 ATM 4641/4885L3MBTL1 2968/4885TRPV1 1056/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 ATM 4641/4885L3MBTL1 2968/4885TRPV1 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.