SCHEMBL186159

SCHEMBL186159

O=C(CN1CC2CCC(C1)N2c1ncc(F)cn1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
GRIN2B Q13224 13/20 0.40
HTR7 P34969 1/20 0.39
GRIN1 Q05586 5/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL186245 0.93 CCR2 (0.42) CCR2GRIN2BHTR7GRIN1CYP2C9
SCHEMBL186336 0.92 GRIN2B (0.43) GRIN2BGRIN1CYP2C9KCNH2POLB
SCHEMBL186663 0.92 MAPK1 (0.37) MAPK1MEN1KMT2A
SCHEMBL186244 0.91 MAPK1 (0.39) MAPK1MEN1KMT2A
SCHEMBL186594 0.89 MEN1 (0.40) GRIN2BGRIN1MAPK1MEN1KMT2A
SCHEMBL186206 0.88 SLC6A7 (0.44) GRIN2BHTR7GRIN1MAPK1MEN1
SCHEMBL186614 0.88 PIM1 (0.40) MAPK1MEN1KMT2A
SCHEMBL186615 0.87 GRIN2B (0.42) GRIN2BGRIN1CYP2C9KCNH2POLB
SCHEMBL186248 0.87 CCR2 (0.41) CCR2GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL186829 0.86 AOC3 (0.44) MAPK1MEN1KMT2APPARGPPARA

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 CCR2 1084/4885GRIN2B 797/4885HTR7 2955/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 CCR2 1084/4885GRIN2B 797/4885HTR7 2955/4885

“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.