SCHEMBL21464150

SCHEMBL21464150

O=c1[nH]c2ccccc2n1-c1ccc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTR1A P08908 3/20 0.44
▸ HTR6 P50406 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ TNKS O95271 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL30615558 1.00 HTR7 (0.47) HTR7GAAHTR1AHTR6DRD2
SCHEMBL28495324 0.85 TNKS (0.48) HTR7TNKSOPRM1OPRL1
SCHEMBL30615497 0.81 ALDH1A1 (0.54) HTR7GAATNKSOPRM1CHRM1
SCHEMBL21463922 0.81 ALDH1A1 (0.54) HTR7GAATNKSOPRM1CHRM1
SCHEMBL21464106 0.77 TNKS (0.45) TNKSMAPK8CHRM1KCNH2
SCHEMBL21464096 0.77 TNKS (0.45) TNKSMAPK8CHRM1KCNH2
SCHEMBL30615602 0.77 TNKS (0.45) TNKSMAPK8CHRM1KCNH2
SCHEMBL21464095 0.77 TNKS (0.45) TNKSMAPK8CHRM1KCNH2
SCHEMBL30615332 0.77 TNKS (0.45) TNKSMAPK8CHRM1KCNH2
SCHEMBL28488276 0.77 TNKS (0.48) TNKSCHRM1

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 HTR7 579/4885GAA 3441/4885HTR1A 1167/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HTR7 579/4885GAA 3441/4885HTR1A 1167/4885

“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.

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