SCHEMBL22837814

SCHEMBL22837814

CN(C)CCC1CCN(c2ccc(I)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ LTA4H P09960 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AKR1C3 P42330 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
SCHEMBL3440736 0.84 MAPT (0.46) CHRM4SMN1; SMN2SUV39H2HRH3L3MBTL1
SCHEMBL22837815 0.84 CHRM4 (0.52) CHRM4HRH3DRD2DRD3CHRM2
SCHEMBL22837879 0.84 HRH3 (0.40) CHRM4SUV39H2HRH3LTA4HL3MBTL3
SCHEMBL26641521 0.79 MAPT (0.45) HRH3LTA4HL3MBTL3L3MBTL1AKR1C3
SCHEMBL10118638 0.79 MEN1 (0.53) SMN1; SMN2HRH3
SCHEMBL26641377 0.76 CDK4 (0.43) CHRM4LTA4HDRD2DRD3CHRM2
SCHEMBL27364511 0.76 DRD2 (0.44) DRD2DRD3
SCHEMBL2267493 0.76 MAPT (0.41) CHRM4SMN1; SMN2HRH3L3MBTL1
SCHEMBL14862764 0.75 LTA4H (0.45) SMN1; SMN2HRH3LTA4HL3MBTL3L3MBTL1
SCHEMBL22837830 0.75 HTR2A (0.43) SMN1; SMN2LTA4HL3MBTL3L3MBTL1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 — — US 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 CHRM4 3273/4885SMN1; SMN2 3616/4885SUV39H2 2854/4885

“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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