SCHEMBL18615599

SCHEMBL18615599

CC(C)(C)OC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
MASP2 O00187 1/20 0.43
F2 P00734 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
RORC P51449 1/20 0.41
HPD P32754 1/20 0.41
STAT3 P40763 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL18615671 0.92 MAPT (0.48) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18615597 0.92 MAPT (0.48) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL18615601 0.92 MAPT (0.48) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL14453644 0.90 GPR119 (0.52) MAPTCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL31584255 0.85 ALDH1A1 (0.42) MAPTLMNAALDH1A1MAPK1GPR119
SCHEMBL18607944 0.84 GPR119 (0.40) MAPTLMNAALDH1A1GPR119
SCHEMBL31615924 0.84 CASP6 (0.46) MAPTLMNAALDH1A1GPR119
SCHEMBL18615745 0.82 PDE4B (0.45) MAPTRORCGPR119
SCHEMBL21723512 0.82 GPR119 (0.48) MAPTRORCGPR119
SCHEMBL2406983 0.82 PDE4B (0.45) MAPTCYP2D6CYP2C9CYP2C19CYP1A2

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-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
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
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP 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 (2 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 MAPT 3770/4885CYP2D6 4179/4885CYP2C9 4544/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 MAPT 3770/4885CYP2D6 4179/4885CYP2C9 4544/4885

“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.