SCHEMBL19861642

SCHEMBL19861642

CCC(=O)C(CN1CCOCC1)NC(=O)N(C)Cc1csc(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.49
CYP2D6 P10635 6/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL2760158 0.91 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL17209571 0.90 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2736145 0.90 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2760150 0.83 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL13100455 0.83 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL10164423 0.83 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2736233 0.83 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL13093538 0.83 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2736151 0.83 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL17209737 0.83 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2

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-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 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 (1 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-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C9 615/4885

“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.