SCHEMBL15345008

SCHEMBL15345008

CN1CCN(C)C(c2ccc3c(cnn3C)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 5/20 0.43
CREBBP Q92793 3/20 0.41
BRD4 O60885 2/20 0.41
PTGER3 P43115 1/20 0.39
KDM1A O60341 3/20 0.38
CYP11B2 P19099 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
TRPA1 O75762 1/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 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
SCHEMBL15341805 0.85 PDE1C (0.40) PDE1CCREBBPBRD4PTGER3KDM1A
SCHEMBL15344970 0.78 PDE1C (0.45) PDE1CCREBBPBRD4KDM1ACYP11B2
SCHEMBL15345135 0.73 PDE1C (0.42) PDE1CPTGER3KDM1AKDM2BPDE2A
SCHEMBL15345087 0.73 PDE1C (0.42) PDE1CPTGER3KDM1AKDM2BPDE2A
SCHEMBL15345080 0.73 PDE1C (0.42) PDE1CPTGER3KDM1AKDM2BPDE2A
SCHEMBL29769081 0.72 PDE1C (0.48) PDE1CCREBBPBRD4PTGER3KDM1A
SCHEMBL15344134 0.72 PDE4A (0.52) PDE1CCREBBPBRD4KDM1APDE4B
SCHEMBL15341967 0.72 PDE1C (0.39) PDE1CPTGER3KDM1AKDM2BPDE2A
SCHEMBL15341800 0.72 PDE1C (0.39) PDE1CPTGER3KDM1AKDM2BPDE2A
SCHEMBL15341970 0.72 PDE1C (0.39) PDE1CPTGER3KDM1AKDM2BPDE2A

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 4803/4885CREBBP 401/4885BRD4 1928/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885CREBBP 401/4885BRD4 1928/4885

“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.