SCHEMBL186578

SCHEMBL186578

O=C(CN1CC2CCC(C1)N2c1ccc2ccccc2n1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
CCR2 P41597 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SOS1 Q07889 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
GRIN2B Q13224 4/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 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
SCHEMBL186522 0.87 PDE10A (0.38) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL186248 0.86 CCR2 (0.41) CCR2GRIN2BPOLBHTTCYP2C9
SCHEMBL186303 0.86 ALDH1A1 (0.42) CCR2MEN1KMT2AHTR7KDM4E
SCHEMBL186245 0.84 CCR2 (0.42) CCR2MEN1KMT2AHTR7KDM4E
SCHEMBL186850 0.83 CCR2 (0.40) CCR2HTR7GRIN2BPOLBHTT
SCHEMBL186475 0.83 CCR2 (0.40) CCR2KDM4EGRIN2BPOLBHTT
SCHEMBL2178246 0.82 NAMPT (0.39) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL186159 0.82 CCR2 (0.41) CCR2MEN1KMT2AHTR7GRIN2B
SCHEMBL187621 0.81 TRPV1 (0.41) CCR2HTR7GRIN2BPOLBHTT
SCHEMBL186849 0.75 CCR2 (0.41) CCR2MEN1KMT2AKDM4EGRIN2B

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 PDE10A 4722/4885CCR2 1084/4885MEN1 4190/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 PDE10A 4722/4885CCR2 1084/4885MEN1 4190/4885

“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.