SCHEMBL17572004

SCHEMBL17572004

CC(=O)N1C2CCCC1COC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.30
MAPK1 P28482 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL17572101 0.91 SMN1; SMN2 (0.42) SMN1; SMN2
Hydrochloric Acid SCHEMBL6208258 0.89 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL18478128 0.86 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL24158929 0.82 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL21480134 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL12357446 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL20469493 0.79 RIPK1 (0.34) ALDH1A1MEN1KMT2ASMYD3
SCHEMBL19423892 0.78 ALDH1A1 (0.38) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL31288797 0.78 GRM5 (0.39) SMN1; SMN2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL22001453 0.77 CHRNB2 (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 US disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153518-A1 PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153515-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034675-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 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 (4 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-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 SMN1; SMN2 3457/4885ALDH1A1 2910/4885CHRM2 764/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 SMN1; SMN2 2876/4885ALDH1A1 4190/4885CHRM2 1019/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 SMN1; SMN2 2617/4885ALDH1A1 4354/4885CHRM2 980/4885
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA SMN1; SMN2 3978/4885ALDH1A1 3953/4885CHRM2 4718/4885

“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.