SCHEMBL21463542

SCHEMBL21463542

O=c1[nH]c2ccccc2n1CC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
HTR7 P34969 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RORC P51449 1/20 0.46

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
SCHEMBL739521 0.90 HPGD (0.62) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL739270 0.86 HPGD (0.76) HPGDMEN1CYP1A2KMT2ACHRM2
SCHEMBL7248358 0.85 HPGD (0.74) HPGDMEN1CYP1A2KMT2ACHRM2
SCHEMBL23997256 0.84 HPGD (0.57) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL23997359 0.84 HPGD (0.57) HPGDMEN1CYP1A2KMT2ACHRM2
SCHEMBL25275997 0.83 HPGD (0.56) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL25279330 0.83 HPGD (0.56) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL23997410 0.83 HPGD (0.56) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL25275996 0.83 HPGD (0.56) HPGDMEN1CYP1A2KMT2AOPRM1
SCHEMBL23997240 0.83 HPGD (0.56) HPGDMEN1CYP1A2KMT2AOPRM1

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 HPGD 943/4885MEN1 2330/4885CYP1A2 3484/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HPGD 943/4885MEN1 2330/4885CYP1A2 3484/4885

“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.