SCHEMBL186070

SCHEMBL186070

COc1ccccc1C1=CCN(C(=O)CCl)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.52
CDK9 P50750 6/20 0.52
MAPT P10636 2/20 0.47
QDPR P09417 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR1 P21554 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
FGFR4 P22455 1/20 0.42
JAK1 P23458 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL7549123 0.86 MAPT (0.49) CCNT1CDK9MAPTQDPRPPARG
SCHEMBL20993990 0.84 MAPT (0.50) CCNT1CDK9MAPTQDPRMEN1
SCHEMBL4859866 0.79 PDK4 (0.67) CNR1JAK1PDK4
SCHEMBL29580432 0.79 PDK4 (0.67) CNR1JAK1PDK4
SCHEMBL27886023 0.78 MEN1 (0.71) MAPTMEN1KMT2ATDP1KCNH2
SCHEMBL11092802 0.78 MAPT (0.45) CCNT1CDK9MAPTQDPRPPARG
SCHEMBL7396701 0.78 KMT2A (0.46) CCNT1CDK9MEN1KMT2ATDP1
SCHEMBL13801237 0.74 TNKS (0.51) CCNT1CDK9MAPTPPARGPPARA
SCHEMBL28727024 0.74 MAPT (0.44) CCNT1CDK9MAPTQDPRMEN1
SCHEMBL10852905 0.74 MAPT (0.55) CCNT1CDK9MAPTMEN1KMT2A

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 9 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
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-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
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

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 CCNT1 2181/4885CDK9 4704/4885MAPT 3573/4885
US-20110144116-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 CCNT1 2587/4885CDK9 2430/4885MAPT 1393/4885
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 CCNT1 808/4885CDK9 855/4885MAPT 3633/4885
US-20120232280-A1 DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALKANONE AND USE THEREOF AS p75 INHIBITORS NGF, NTRK2, NTRK3 CCNT1 2587/4885CDK9 2430/4885MAPT 1393/4885
US-20120289518-A1 DERIVATIVES OF 2-OXOALKYL-1-PIPERAZIN-2-ONE, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME PKD2, OPRM1, DHFR CCNT1 2181/4885CDK9 4704/4885MAPT 3573/4885

“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.