SCHEMBL15344914

SCHEMBL15344914

CN1CCNCC1c1ccc2c(cnn2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 8/20 0.43
KDM1A O60341 4/20 0.38
MLLT1 Q03111 2/20 0.38
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
APP P05067 1/20 0.37
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAOB P27338 1/20 0.36
DRD4 P21917 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL17448337 1.00 PDE1C (0.43) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL17448338 1.00 PDE1C (0.43) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL19905905 0.85 PDE1C (0.40) PDE1CKDM1APDE2APDE5ACYP2C9
SCHEMBL25248916 0.81 PDE1C (0.38) PDE1CKDM1AAPPMAOBDRD4
SCHEMBL15345087 0.78 PDE1C (0.42) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL15345135 0.78 PDE1C (0.42) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL15345080 0.78 PDE1C (0.42) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL15333797 0.78 PDE1C (0.44) PDE1CKDM1AMLLT1PDE2APDE5A
SCHEMBL6745850 0.78 PTGER3 (0.37) PDE1CKDM1ABRD4CREBBP
SCHEMBL15344928 0.77 PDE1C (0.44) PDE1CKDM1APDE2APDE5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4803/4885KDM1A 4401/4885MLLT1 718/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885KDM1A 4401/4885MLLT1 718/4885

“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.