SCHEMBL19419476

SCHEMBL19419476

COc1cc(CC(=O)N2CCCC2)ccc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
GFER P55789 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ECE2 P0DPD6 1/20 0.48
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
PANK3 Q9H999 1/20 0.45

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
SCHEMBL19419479 0.97 HTT (0.57) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL17572088 0.82 HTT (0.61) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL11304999 0.81 HTT (0.60) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL19423882 0.81 HTT (0.60) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL13089991 0.80 ALDH1A1 (0.49) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL17572090 0.80 HTT (0.61) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL23280494 0.79 HTT (0.57) HTTGFERKMT2AMEN1ALDH1A1
SCHEMBL13895733 0.79 GAA (0.64) HTTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9548108 0.79 GAA (0.47) HTTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19356243 0.78 HTT (0.60) HTTGFERKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189042-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors CTXT PTY. LTD (AU) 2020-05-12 US disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 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-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
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-05 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 (7 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 HTT 2461/4885GFER 3848/4885KMT2A 49/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 HTT 2654/4885GFER 3860/4885KMT2A 55/4885
US-10647708-B2 Tetrahydroisoquinoline derived PRMT5-inhibitors PRMT5, PRMT3, PRMT1 HTT 2208/4885GFER 4432/4885KMT2A 34/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 HTT 1863/4885GFER 4546/4885KMT2A 38/4885
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HTT 1460/4885GFER 4531/4885KMT2A 46/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HTT 1460/4885GFER 4531/4885KMT2A 46/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 HTT 2208/4885GFER 4432/4885KMT2A 34/4885

“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.