SCHEMBL186753

SCHEMBL186753

O=C(CCl)N1CC=C(c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR1 P21554 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
QDPR P09417 2/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
ALOX15 P16050 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
NAMPT P43490 3/20 0.42
JAK1 P23458 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL27886023 0.85 MEN1 (0.71) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL5547905 0.83 SIGMAR1 (0.49) MEN1KMT2ACNR1SIGMAR1QDPR
SCHEMBL4947674 0.81 ALDH1A1 (0.50) MEN1KMT2ACNR1SIGMAR1QDPR
SCHEMBL1198534 0.81 MEN1 (0.51) MEN1KMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL20414631 0.78 MEN1 (0.45) MEN1KMT2ACNR1SIGMAR1ALDH1A1
SCHEMBL2179178 0.78 RAB9A (0.46) MEN1KMT2ACNR1SIGMAR1QDPR
SCHEMBL18113482 0.78 MEN1 (0.43) MEN1KMT2ACNR1QDPRTSHR
SCHEMBL21158027 0.77 KMT2A (0.46) MEN1KMT2ACNR1QDPRALDH1A1
SCHEMBL19297504 0.77 QDPR (0.49) MEN1KMT2ASIGMAR1QDPRALDH1A1
SCHEMBL185625 0.76 CNR1 (0.46) MEN1KMT2ACNR1SIGMAR1QDPR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519143-B2 Derivatives of (bridged piperazinyl)-1-alkanone and use thereof as p75 inhibitors SANOFI (FR) 2013-08-27 US claimed
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-11-15 US claimed
EP-2513088-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 EP claimed
US-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US claimed
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS SANOFI-AVENTIS (FR) 2012-09-13 US claimed
WO-2011144835-A3 TUBULAR PHOTOVOLTAIC DEVICE FOR PRODUCING ELECTRICAL ENERGY THEROND PATRICK (FR) 2012-05-10 WO 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-2310383-B1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2011-11-30 EP claimed
WO-2011080445-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 WO claimed
US-20110144122-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-06-16 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
EP-2310383-A1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-20 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-2009150387-A1 DERIVATIVES OF 2-OXO-ALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO 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
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 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 (5 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-20110144122-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR MEN1 2350/4885KMT2A 2396/4885CNR1 47/4885
US-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 MEN1 4190/4885KMT2A 4374/4885CNR1 1515/4885
US-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 MEN1 4024/4885KMT2A 3840/4885CNR1 406/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 MEN1 4190/4885KMT2A 4374/4885CNR1 1515/4885
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR MEN1 2350/4885KMT2A 2396/4885CNR1 47/4885

“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.