SCHEMBL21463409

SCHEMBL21463409

Brc1ccc2c(c1)c(-c1ccccc1)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.39
PPARG P37231 1/20 0.39
ATM Q13315 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ATR Q13535 2/20 0.38
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
CSF1R P07333 1/20 0.36
FER P16591 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL5372228 0.89 CYP4F2 (0.38) RXRARXRBRXRGATRCYP4F2
SCHEMBL14688886 0.84 ATR (0.39) RXRARXRBRXRGATRDGAT2
SCHEMBL24809147 0.84 AXL (0.46) RXRARXRBRXRGFLT3AURKB
SCHEMBL20764887 0.83 CYP4F2 (0.39) ATRCYP4F2CYP4A11MAPK1
SCHEMBL30182911 0.83 MAPT (0.38) RXRARXRBRXRGATRFLT3
SCHEMBL12813358 0.81 PDPK1 (0.47) ALOX15MAPK1MAPTALDH1A1HPGD
SCHEMBL22685944 0.81 RXRA (0.36) RXFP1PPARGATMNCOR2RXRA
SCHEMBL15744178 0.81 CYP4F2 (0.39) RXRARXRBRXRGATRFLT3
SCHEMBL18281904 0.81 GAA (0.41) RXRARXRBRXRGATRMAPK8
SCHEMBL767404 0.81 CYP4F2 (0.39) RXRARXRBRXRGATRFLT3

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 RXFP1 111/4885PPARG 3834/4885ATM 4371/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH RXFP1 111/4885PPARG 3834/4885ATM 4371/4885

“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.