SCHEMBL21655193

SCHEMBL21655193

CCC(=O)N1CCC(C(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.49
▸ ALDH1A1 P00352 2/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CHRNB3 Q05901 1/20 0.41
▸ CHRNA6 Q15825 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CPN1 P15169 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ BLM P54132 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
SCHEMBL12876398 0.82 EPHX2 (0.50) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL14996187 0.81 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL13245899 0.80 EPHX2 (0.49) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL17572000 0.79 EPHX2 (0.43) EPHX2ALDH1A1EPHX1CPN1CPB2
SCHEMBL23570940 0.78 EPHX2 (0.47) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL14018532 0.78 EPHX2 (0.47) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL2423313 0.78 EPHX2 (0.44) EPHX2ALDH1A1EPHX1
SCHEMBL8513454 0.77 CPN1 (0.37) ALDH1A1CPN1CPB2
SCHEMBL10282539 0.77 ALDH1A1 (0.67) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7487836 0.77 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961256-B2 PRMT5 inhibitors CTXT PTY LTD (AU) 2021-03-30 — — US disclosed
US-10550096-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2020-02-04 — — 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 (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-10961256-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 EPHX2 1416/4885ALDH1A1 4022/4885CHRNB2 2501/4885
US-10550096-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 EPHX2 1664/4885ALDH1A1 4296/4885CHRNB2 2526/4885

“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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