SCHEMBL21463368

SCHEMBL21463368

COc1ccc(-n2c(=O)[nH]c3c(C)cccc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
OXTR P30559 13/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AVPR1A P37288 8/20 0.41
AVPR2 P30518 2/20 0.41
REN P00797 1/20 0.39
MAPT P10636 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 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
SCHEMBL30615377 1.00 DAO (0.46) DAOOXTRMEN1KMT2AAVPR1A
SCHEMBL28497610 0.81 DAO (0.45) DAOMEN1KMT2AMAPT
SCHEMBL30615552 0.81 MEN1 (0.47) OXTRMEN1KMT2AAVPR1AAVPR2
SCHEMBL10143726 0.81 MEN1 (0.47) OXTRMEN1KMT2AAVPR1AAVPR2
SCHEMBL30615678 0.80 DAO (0.46) DAOOXTRMEN1KMT2AAVPR1A
SCHEMBL28497575 0.76 DAO (0.45) DAOMAPT
SCHEMBL10143733 0.74 MEN1 (0.54) OXTRMEN1KMT2AAVPR1AAVPR2
SCHEMBL21463354 0.72 DAO (0.48) DAO
SCHEMBL23565505 0.72 CYP2C9 (0.58) OXTRMEN1KMT2AAVPR1AAVPR2
SCHEMBL23926980 0.69 HSD17B10 (0.43) OXTRKMT2AAVPR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 EP disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH DAO 4012/4885OXTR 56/4885MEN1 2330/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH DAO 4012/4885OXTR 56/4885MEN1 2330/4885

“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.