SCHEMBL15345009

SCHEMBL15345009

CC(C)N1CCN(C)CC1c1ccc2c(cnn2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 5/20 0.39
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM1A O60341 5/20 0.37
KDM2B Q8NHM5 1/20 0.36
TRPA1 O75762 1/20 0.36
USP30 Q70CQ3 1/20 0.35
FASN P49327 2/20 0.35
GRIN2B Q13224 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
DRD4 P21917 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL15341801 0.89 PDE1C (0.38) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15345080 0.84 PDE1C (0.42) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15345087 0.84 PDE1C (0.42) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15345135 0.84 PDE1C (0.42) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL19905905 0.81 PDE1C (0.40) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15341970 0.78 PDE1C (0.39) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15341800 0.78 PDE1C (0.39) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15341967 0.78 PDE1C (0.39) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15344927 0.73 PDE1C (0.43) PDE1CPDE2APDE5ACYP2C9CYP2C19
SCHEMBL15345157 0.72 DRD4 (0.43) PDE1CKDM1AKDM2BSIGMAR1DRD4

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
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-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 (2 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 PDE1C 4803/4885PDE2A 1575/4885PDE5A 1565/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885PDE2A 1575/4885PDE5A 1565/4885

“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.