SCHEMBL15344927

SCHEMBL15344927

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 7/20 0.43
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
KDM1A O60341 4/20 0.39
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
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
FASN P49327 2/20 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
SCHEMBL15341804 0.88 PLA2G7 (0.42) PDE1CNR1H2NR1H3KDM1APLA2G7
SCHEMBL15333797 0.84 PDE1C (0.44) PDE1CKDM1APLA2G7MGLLABHD6
SCHEMBL21385205 0.79 PDE1C (0.47) PDE1CKDM1APLA2G7MGLLABHD6
SCHEMBL29849392 0.79 PDE1C (0.47) PDE1CKDM1APLA2G7MGLLABHD6
SCHEMBL23211951 0.78 GPR119 (0.51) PDE1CPLA2G7MGLLABHD6GPR119
SCHEMBL30149799 0.78 GPR119 (0.51) PDE1CPLA2G7MGLLABHD6GPR119
SCHEMBL15345135 0.77 PDE1C (0.42) PDE1CKDM1AKDM2BPDE2APDE5A
SCHEMBL15345087 0.77 PDE1C (0.42) PDE1CKDM1AKDM2BPDE2APDE5A
SCHEMBL15345080 0.77 PDE1C (0.42) PDE1CKDM1AKDM2BPDE2APDE5A
SCHEMBL15333427 0.77 PDE1C (0.43) PDE1CKDM1APLA2G7MGLLABHD6

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 4803/4885NR1H2 183/4885NR1H3 102/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885NR1H2 183/4885NR1H3 102/4885

“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.