SCHEMBL2297690

SCHEMBL2297690

CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.64
NAMPT P43490 1/20 0.58
MAPT P10636 2/20 0.56
STS P08842 1/20 0.55
GPR119 Q8TDV5 6/20 0.53
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
PTK2 Q05397 1/20 0.51
TGFBR1 P36897 1/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
LIPE Q05469 1/20 0.49
RORC P51449 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48

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
SCHEMBL31615814 0.94 P2RY14 (0.59) P2RY14NAMPTMAPTSTSGPR119
SCHEMBL4407036 0.89 NAMPT (0.60) P2RY14NAMPTMAPTSTSGPR119
SCHEMBL22059421 0.86 RORC (0.57) P2RY14MAPTSTSGPR119KDM4E
SCHEMBL2594236 0.86 NAMPT (0.60) P2RY14NAMPTMAPTGPR119KDM4E
SCHEMBL18805528 0.86 NAMPT (0.60) P2RY14NAMPTMAPTGPR119KDM4E
SCHEMBL21425200 0.86 MAPT (0.56) P2RY14NAMPTMAPTSTSGPR119
SCHEMBL12117456 0.85 GPR119 (0.65) NAMPTMAPTGPR119KDM4ETHRB
SCHEMBL3854559 0.85 NAMPT (0.61) P2RY14NAMPTMAPTSTSGPR119
SCHEMBL4183397 0.84 GPR119 (0.61) P2RY14NAMPTMAPTGPR119KDM4E
SCHEMBL23211982 0.84 MAPT (0.56) P2RY14MAPTSTSGPR119KDM4E

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
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 (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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I P2RY14 154/4885NAMPT 273/4885MAPT 3703/4885

“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.