SCHEMBL1615260

SCHEMBL1615260

CCCCn1c(-c2ccc(Oc3ccc(F)c(C(F)(F)F)c3)cc2OCCCN(C)C)nc2c(OCCCN(CC)CC)cc(OCCCN(CC)CC)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PDE2A O00408 3/20 0.34
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL13100542 0.97 AGER (0.40) AGERDRD2DRD3PDE2A
SCHEMBL1283395 0.97 AGER (0.40) AGERDRD2DRD3PDE2A
SCHEMBL1283364 0.94 AGER (0.40) AGERDRD2DRD3PDE2A
SCHEMBL1283682 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283608 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283823 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283637 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283502 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283161 0.91 AGER (0.37) AGERDRD2DRD3
SCHEMBL1283216 0.91 AGER (0.38) AGERDRD2DRD3PDE2A

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 AGER 1/4885DRD2 4691/4885DRD3 4321/4885

“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.