SCHEMBL15344908

SCHEMBL15344908

CN1CCN(c2ccc3c(cnn3C)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
MCHR1 Q99705 2/20 0.44
MCHR2 Q969V1 1/20 0.44
PDE10A Q9Y233 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
CDC7 O00311 1/20 0.38
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
TRPA1 O75762 2/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL15344945 0.92 CYP11B2 (0.48) CYP11B2MCHR1MCHR2PDE10ABRD4
SCHEMBL15340925 0.84 CYP11B2 (0.44) CYP11B2MCHR1MCHR2PDE10ABRD4
SCHEMBL15340920 0.79 CYP11B2 (0.45) CYP11B2MCHR1MCHR2PDE10ABRD4
SCHEMBL3782201 0.79 CYP17A1 (0.47) CYP11B2MCHR1MCHR2
SCHEMBL15344137 0.79 CYP11B2 (0.49) CYP11B2BRD4CREBBPCDC7KCNH2
SCHEMBL26683815 0.77 CRBN (0.49) CYP11B2BRD4CREBBPDYRK3CLK1
SCHEMBL30449846 0.77 CRBN (0.49) CYP11B2BRD4CREBBPDYRK3CLK1
SCHEMBL15331887 0.77 CYP11B2 (0.47) CYP11B2MCHR1MCHR2BRD4CREBBP
SCHEMBL20414628 0.73 OTUD7B (0.42) CYP11B2BRD4CREBBPDYRK3CLK1
SCHEMBL29967049 0.73 TERT (0.51) CYP11B2KCNH2KDM2BTRPA1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885MCHR1 3991/4885MCHR2 4787/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885MCHR1 3991/4885MCHR2 4787/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP11B2 21/4885MCHR1 2520/4885MCHR2 4276/4885

“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.