SCHEMBL21064122

SCHEMBL21064122

CC(C)(C)c1cncc(NCCNCC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ AR P10275 1/20 0.31

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
SCHEMBL19964077 0.75 HRH3 (0.38) HRH3CYP3A4
SCHEMBL17700603 0.74 CYP3A4 (0.42) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL17700260 0.71 CYP3A4 (0.43) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL18466077 0.71 ALDH1A1 (0.35) HRH3AR
SCHEMBL22010700 0.69 ALDH1A1 (0.46) HRH3CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL18595673 0.69 SLC22A12 (0.45) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL24782865 0.67 CYP3A4 (0.42) CYP3A4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL17700237 0.67 SLC22A12 (0.41) CYP3A4CYP2C9SLC22A12AR
SCHEMBL2343338 0.66 GABRA1 (0.44) HRH3CYP3A4CYP2C9
SCHEMBL823824 0.65 GABRA1 (0.46) —

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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 — — 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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 HRH3 629/4885CYP3A4 1668/4885CYP2C9 2246/4885

“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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