SCHEMBL1615404

SCHEMBL1615404

CCCCOc1ccc(-c2nc3ccc(OCCc4ccc(Cl)cc4)cc3n2CCCC)c(OCCCN(CC)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 6/20 0.47
AGER Q15109 5/20 0.41
PDE2A O00408 6/20 0.40
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL1283384 1.00 DRD2 (0.47) DRD2DRD3AGERPDE2AKDM4E
SCHEMBL1283229 1.00 DRD2 (0.47) DRD2DRD3AGERPDE2AKDM4E
SCHEMBL1283499 0.98 DRD2 (0.45) DRD2DRD3AGERPDE2AACHE
SCHEMBL13372533 0.94 DRD3 (0.44) DRD2DRD3AGERPDE2A
SCHEMBL1283710 0.93 HRH3 (0.42) DRD2DRD3AGERPDE2AACHE
SCHEMBL1283509 0.93 HRH3 (0.42) DRD2DRD3AGERPDE2AACHE
SCHEMBL1283440 0.93 DRD3 (0.46) DRD2DRD3AGERPDE2AACHE
SCHEMBL1283320 0.93 DRD2 (0.43) DRD2DRD3AGERPDE2AACHE
SCHEMBL1283477 0.93 AGER (0.41) DRD2DRD3AGERPDE2A
SCHEMBL1282905 0.92 DRD2 (0.40) DRD2DRD3AGERKDM4EGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B DRD2 4691/4885DRD3 4321/4885AGER 1/4885

“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.