SCHEMBL21541750

SCHEMBL21541750

CN(C)C1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.51
▸ DRD3 P35462 4/20 0.51
▸ DRD1 P21728 3/20 0.51
▸ DRD4 P21917 3/20 0.51
▸ DRD5 P21918 3/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.42
▸ CXCR2 P25025 2/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL22444698 0.88 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3128608 0.82 DRD2 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9957718 0.80 DRD2 (0.60) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8508995 0.79 DRD2 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8384976 0.79 DRD2 (0.59) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21590356 0.78 DRD3 (0.62) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7143580 0.78 DRD2 (0.52) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3713105 0.78 HTR2C (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10181619 0.78 DRD2 (0.51) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7139493 0.78 DRD2 (0.51) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 — — EP disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 — — US disclosed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 — — EP 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 (1 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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 DRD2 2283/4885DRD3 2388/4885DRD1 2001/4885

“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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