SCHEMBL20101204

SCHEMBL20101204

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)c(N3CCN(CC5CC5)CC3)nn4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30
CNR1 P21554 1/20 0.30
CYP3A4 P08684 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
SCHEMBL31114862 1.00 TACR1 (0.32) TACR1HCRTR1HCRTR2KDM4EHPGD
SCHEMBL22506459 0.94 CYP3A4 (0.36) TACR1CNR1CYP3A4
SCHEMBL20101205 0.94 CYP3A4 (0.36) TACR1CNR1CYP3A4
SCHEMBL20101202 0.90 PPARA (0.32) KDM4EHPGDHSD17B10TP53CYP3A4
SCHEMBL20101200 0.90 PPARA (0.32) KDM4EHPGDHSD17B10TP53CYP3A4
SCHEMBL20030665 0.89 NPSR1 (0.33) KDM4EHPGDHSD17B10TP53CYP3A4
SCHEMBL23100103 0.88 TP53 (0.31) KDM4EHPGDHSD17B10TP53CYP3A4
SCHEMBL20101153 0.88 CNR1 (0.34) TACR1KDM4EHPGDHSD17B10CNR1
SCHEMBL20101151 0.88 PDE2A (0.30) TP53CYP3A4
SCHEMBL20030860 0.88 TP53 (0.30) TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078991-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10800772-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-10-13 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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 (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-10800772-B2 Therapeutic compounds NQO1, HAVCR2, CCR5 TACR1 570/4885HCRTR1 3644/4885HCRTR2 4127/4885
US-20210078991-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TACR1 570/4885HCRTR1 3644/4885HCRTR2 4127/4885
US-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TACR1 570/4885HCRTR1 3644/4885HCRTR2 4127/4885

“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.