SCHEMBL15340922

SCHEMBL15340922

CC(C)N1CC(c2ccc3c(cnn3C)c2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.41
HDAC4 P56524 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM1A O60341 4/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
CREBBP Q92793 3/20 0.37
BRD4 O60885 3/20 0.37
KDM5B Q9UGL1 1/20 0.36
CYP11B2 P19099 1/20 0.35
PTGER3 P43115 1/20 0.35

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
SCHEMBL15344134 0.85 PDE4A (0.52) PDE1CHDAC4PDE4BPDE4DKDM1A
SCHEMBL29769081 0.75 PDE1C (0.48) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL15341805 0.75 PDE1C (0.40) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL19868691 0.74 PDE1C (0.45) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL15341803 0.74 PDE1C (0.42) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL15345090 0.73 PDE4A (0.49) PDE1CPDE4BPDE4DPDE5ACYP2C9
SCHEMBL23152346 0.72 PDE1C (0.49) PDE1CHDAC4PDE4BPDE4DPDE2A
Hydrochloric Acid SCHEMBL31638109 0.71 PDE1C (0.47) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL1365601 0.71 PDE1C (0.44) PDE1CHDAC4PDE4BPDE4DPDE2A
SCHEMBL15317630 0.71 QDPR (0.50) PDE1CHDAC4KDM1ACREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US 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-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885HDAC4 1758/4885PDE4B 1222/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDE1C 4837/4885HDAC4 1407/4885PDE4B 2486/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885HDAC4 1758/4885PDE4B 1222/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885HDAC4 1758/4885PDE4B 1222/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDE1C 4837/4885HDAC4 1407/4885PDE4B 2486/4885

“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.