SCHEMBL4380397

SCHEMBL4380397

CC(C)(C)OC(=O)NC1CCC(CNC(=O)C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
DRD2 P14416 7/20 0.44
EPHX1 P07099 1/20 0.44
BTK Q06187 1/20 0.43
PBK Q96KB5 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 1/20 0.40
CTSK P43235 2/20 0.40
GAA P10253 1/20 0.39
ACACB O00763 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL4380399 1.00 KMT2A (0.44) KMT2ADRD2EPHX1BTKPBK
SCHEMBL18534331 0.87 EPHX1 (0.52) KMT2ADRD2EPHX1BTKPBK
SCHEMBL4920988 0.84 KMT2A (0.50) KMT2ADRD2EPHX1BTKPBK
SCHEMBL4921002 0.84 KMT2A (0.50) KMT2ADRD2EPHX1BTKPBK
SCHEMBL6154180 0.84 KMT2A (0.50) KMT2ADRD2EPHX1BTKPBK
SCHEMBL13135484 0.84 KMT2A (0.47) KMT2ADRD2EPHX1BTKPBK
SCHEMBL7580702 0.84 BTK (0.50) KMT2ADRD2EPHX1BTKKDM1A
SCHEMBL1862470 0.84 BTK (0.50) KMT2ADRD2EPHX1BTKKDM1A
SCHEMBL2300276 0.84 BTK (0.50) KMT2ADRD2EPHX1BTKKDM1A
SCHEMBL28722421 0.82 DRD2 (0.45) KMT2ADRD2EPHX1BTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306372-B1 HETEROCYCLE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2009-11-18 EP disclosed
US-6794389-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-09-21 US disclosed
US-20030119855-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-06-26 US disclosed
EP-1306372-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-05-02 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-20030119855-A1 Heterocycle derivatives and drugs OPRL1, OPRK1, OPRD1 KMT2A 2295/4885DRD2 382/4885EPHX1 1204/4885

“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.