SCHEMBL186229

SCHEMBL186229

O=C(CN1C2CCC1CN(c1ccc(C(F)(F)F)cn1)C2)N1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 2/20 0.42
TRPV1 Q8NER1 7/20 0.42
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
TACR3 P29371 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL186849 0.88 CCR2 (0.41) L3MBTL1TRPV1KDM4EABL1LMNA
SCHEMBL186197 0.86 TRPV1 (0.42) L3MBTL1CYP3A4TRPV1CNR1KDM4E
SCHEMBL187078 0.82 TRPV1 (0.41) L3MBTL1CYP3A4TRPV1CNR1
SCHEMBL1725351 0.78 TRPV1 (0.42) L3MBTL1CYP3A4TRPV1CNR1SMN1; SMN2
SCHEMBL186121 0.78 TRPV1 (0.42) TRPV1SMN1; SMN2GPR119
SCHEMBL187256 0.77 KDM4E (0.41) KDM4E
SCHEMBL12539873 0.76 HSD11B1 (0.39) L3MBTL1TRPV1KDM4ELMNAHPGD
SCHEMBL12539683 0.76 SMN1; SMN2 (0.40) L3MBTL1TRPV1KDM4ELMNAHPGD
SCHEMBL4814062 0.76 ALDH1A1 (0.48) TRPV1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL187473 0.76 TRPV1 (0.40) TRPV1

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-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
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
EP-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP 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 (1 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-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 L3MBTL1 2968/4885CYP3A4 3394/4885TRPV1 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.