SCHEMBL18615604

SCHEMBL18615604

CC(C)(C)OC(=O)N[C@H]1CC[C@H](OCc2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
CYP17A1 P05093 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 4/20 0.43
CYP19A1 P11511 2/20 0.43
EPHX2 P34913 3/20 0.42
GPR119 Q8TDV5 1/20 0.41
KDM4D Q6B0I6 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PARP1 P09874 1/20 0.40
KCNA3 P22001 1/20 0.40
EPHX1 P07099 1/20 0.40
MAPT P10636 1/20 0.40
DRD3 P35462 1/20 0.39

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
SCHEMBL24011216 1.00 KDM1A (0.45) KDM1AMAOBCYP17A1KMT2AL3MBTL1
SCHEMBL22849420 0.89 KMT2A (0.46) KDM1AMAOBCYP17A1KMT2AL3MBTL1
SCHEMBL22835287 0.89 KMT2A (0.46) KDM1AMAOBCYP17A1KMT2AL3MBTL1
SCHEMBL3200317 0.88 KMT2A (0.56) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL3200309 0.88 KMT2A (0.56) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL18615462 0.86 NPY5R (0.46) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL16578068 0.85 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL24011219 0.85 CYP17A1 (0.42) KDM1AMAOBCYP17A1KMT2AL3MBTL1
SCHEMBL18615677 0.83 DRD2 (0.46) KDM1AMAOBCYP17A1KMT2AL3MBTL1
SCHEMBL28872413 0.83 DRD2 (0.46) KDM1AMAOBCYP17A1KMT2AL3MBTL1

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-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 KDM1A 2748/4885MAOB 4443/4885CYP17A1 4440/4885

“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.