SCHEMBL15344134

SCHEMBL15344134

CN1CC(c2ccc3c(cnn3C)c2)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
BRD4 O60885 13/20 0.51
PDE1C Q14123 1/20 0.44
CREBBP Q92793 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC4 P56524 2/20 0.40

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
SCHEMBL15340922 0.85 PDE1C (0.41) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL29769081 0.79 PDE1C (0.48) PDE4BPDE4DBRD4PDE1CCREBBP
SCHEMBL19868691 0.78 PDE1C (0.45) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL15345090 0.77 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL23152346 0.76 PDE1C (0.49) PDE4BPDE4DPDE1CCREBBPKDM1A
Hydrochloric Acid SCHEMBL31638109 0.74 PDE1C (0.47) PDE4BPDE4DBRD4PDE1CCREBBP
SCHEMBL15317630 0.74 QDPR (0.50) BRD4PDE1CCREBBPKDM1AHDAC4
SCHEMBL1365601 0.74 PDE1C (0.44) PDE4BPDE4DBRD4PDE1CCREBBP
SCHEMBL21876110 0.73 PDE1C (0.44) PDE4BPDE4DBRD4PDE1CCREBBP
SCHEMBL21876109 0.73 PDE1C (0.44) PDE4BPDE4DBRD4PDE1CCREBBP

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 7 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-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 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
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDE4A 2857/4885PDE4B 2486/4885PDE4C 2318/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE4A 1972/4885PDE4B 1222/4885PDE4C 1516/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE4A 1972/4885PDE4B 1222/4885PDE4C 1516/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDE4A 2857/4885PDE4B 2486/4885PDE4C 2318/4885

“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.