SCHEMBL15345135

SCHEMBL15345135

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 5/20 0.42
KDM1A O60341 4/20 0.39
KDM2B Q8NHM5 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GRIN2B Q13224 2/20 0.37
MLLT1 Q03111 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
PTGER3 P43115 1/20 0.36
PDE2A O00408 1/20 0.36
PDE5A O76074 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE10A Q9Y233 1/20 0.36
DRD4 P21917 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
SCHEMBL15345087 1.00 PDE1C (0.42) PDE1CKDM1AKDM2BUSP30GRIN2B
SCHEMBL15345080 1.00 PDE1C (0.42) PDE1CKDM1AKDM2BUSP30GRIN2B
SCHEMBL17547090 0.86 PDE1C (0.40) PDE1CKDM1AKDM2BUSP30MLLT1
SCHEMBL15345009 0.84 PDE1C (0.39) PDE1CKDM1AKDM2BUSP30GRIN2B
SCHEMBL15341800 0.84 PDE1C (0.39) PDE1CKDM1AKDM2BUSP30MLLT1
SCHEMBL15341967 0.84 PDE1C (0.39) PDE1CKDM1AKDM2BUSP30MLLT1
SCHEMBL15341970 0.84 PDE1C (0.39) PDE1CKDM1AKDM2BUSP30MLLT1
SCHEMBL17448338 0.78 PDE1C (0.43) PDE1CKDM1AMLLT1SIGMAR1PDE2A
SCHEMBL15344914 0.78 PDE1C (0.43) PDE1CKDM1AMLLT1SIGMAR1PDE2A
SCHEMBL17448337 0.78 PDE1C (0.43) PDE1CKDM1AMLLT1SIGMAR1PDE2A

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 2 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-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 (1 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-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885KDM1A 4401/4885KDM2B 4356/4885

“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.