SCHEMBL17571997

SCHEMBL17571997

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 5/20 0.39
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 4/20 0.39
PIK3CD O00329 1/20 0.38
CYP2C19 P33261 5/20 0.38
EPHX2 P34913 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX12 P18054 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL20702650 0.81
SCHEMBL12029861 0.81 PIK3CD (0.44) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL19341299 0.80 CHRNB2 (0.36) CYP1A2CYP2C9ALDH1A1EPHX2MEN1
SCHEMBL24713771 0.79
SCHEMBL8380431 0.79 CYP1A2 (0.41) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL21655189 0.79 OPRM1 (0.41) TDP1CYP3A4ALDH1A1KDM4EUSP2
SCHEMBL12029867 0.76 PIK3CD (0.40) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL10093511 0.75 CYP1A2 (0.50) CYP1A2TDP1CYP2C9CYP3A4ALDH1A1
SCHEMBL22681510 0.75 ALDH1A1 (0.33) TDP1CYP3A4ALDH1A1KDM4EUSP2
SCHEMBL29341868 0.74 ALDH1A1 (0.52) CYP1A2CYP2C9CYP3A4ALDH1A1CYP2D6

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
EP-3426640-B1 PRMT5 INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP disclosed
EP-3426647-B1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LTD (AU) 2020-11-18 EP 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-2016034671-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
WO-2016034673-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 (3 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 CYP1A2 820/4885TDP1 1710/4885CYP2C9 1866/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 CYP1A2 1959/4885TDP1 2047/4885CYP2C9 2587/4885
US-20170283407-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT3, PRMT1 CYP1A2 1990/4885TDP1 2159/4885CYP2C9 2640/4885

“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.