SCHEMBL19732434

SCHEMBL19732434

Cc1cccc(-c2ccnn2C2CCCCO2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.54
CYP4F2 P78329 6/20 0.52
CYP4A11 Q02928 6/20 0.52
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 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
SCHEMBL26986513 0.85 CYP4F2 (0.48) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL26986543 0.82 CYP4F2 (0.45) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL26986688 0.81 CYP4F2 (0.46) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL22954588 0.81 CYP4F2 (0.66) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL9977809 0.81 CYP4F2 (0.47) ATRCYP4F2CYP4A11
SCHEMBL13734367 0.80 CYP4F2 (0.53) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL22954560 0.80 CYP4F2 (0.54) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL16589766 0.79 CYP4F2 (0.48) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL20893676 0.78 ATR (0.41) ATRCYP4F2CYP4A11HCRTR1HCRTR2
SCHEMBL20893669 0.77 DRD4 (0.43) ATRCYP4F2CYP4A11HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022251359-A1 BICYCLIC INHIBITORS OF ALK5 AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-12-01 WO disclosed
CN-109415341-B Benzotriazole-derived alpha, beta unsaturated amide compounds as TGF-beta R1 inhibitor 劲方医药科技(上海)有限公司 2021-02-26 CN disclosed
EP-3470409-B1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2020-02-12 EP disclosed
US-10548883-B2 Benzotriazole-derived α and β-unsaturated amide compound used as TGF-β RI inhibitor GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2020-02-04 US disclosed
US-10548883-B2 Benzotriazole-derived α and β-unsaturated amide compound used as TGF-β RI inhibitor GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2020-02-04 US disclosed
US-20190151299-A1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR GENFLEET THERAPEUTICS SHANGHAI INC. (CN) 2019-05-23 US disclosed
US-20190151299-A1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR GENFLEET THERAPEUTICS SHANGHAI INC. (CN) 2019-05-23 US disclosed
EP-3470409-A1 BENZOTRIAZOLE-DERIVED AND UNSATURATED AMIDE COMPOUND USED AS TGF- R1 INHIBITOR Genfleet Therapeutics (Shanghai) Inc. (CN) 2019-04-17 EP disclosed
WO-2017215506-A1 BENZOTRIAZOLE-DERIVED Α AND Β UNSATURATED AMIDE COMPOUND USED AS TGF-ΒR1 INHIBITOR 南京明德新药研发股份有限公司 2017-12-21 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-10548883-B2 Benzotriazole-derived α and β-unsaturated amide compound used as TGF-β RI inhibitor TGFBR1, TGFBR2, TGFB1 ATR 535/4885CYP4F2 3383/4885CYP4A11 1638/4885
US-20190151299-A1 BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR TGFBR1, TGFBR2, TGFB1 ATR 618/4885CYP4F2 3410/4885CYP4A11 1689/4885

“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.