SCHEMBL1614191

SCHEMBL1614191

CCCCn1c(-c2ccc(OCCc3ccc(F)cc3)cc2)nc2c(COCCN(CC)CC)cc(OCCCN(CC)CC)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.48
DRD2 P14416 10/20 0.48
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
AGER Q15109 2/20 0.37
TP53 P04637 1/20 0.36
ESR1 P03372 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
SCHEMBL13100472 0.88 DRD3 (0.52) DRD3DRD2KDM4EALDH1A1CYP3A4
SCHEMBL1283564 0.85 DRD3 (0.50) DRD3DRD2AGER
SCHEMBL1283414 0.81 DRD3 (0.51) DRD3DRD2AGER
SCHEMBL1283544 0.81 DRD3 (0.51) DRD3DRD2AGER
SCHEMBL1284125 0.81 DRD3 (0.51) DRD3DRD2AGER
SCHEMBL1282630 0.80 DRD3 (0.49) DRD3DRD2AGER
SCHEMBL1283264 0.80 DRD3 (0.60) DRD3DRD2AGERTP53
SCHEMBL1615402 0.79 DRD3 (0.49) DRD3DRD2AGER
SCHEMBL1283117 0.78 DRD3 (0.47) DRD3DRD2ADORA3ADORA2AADORA2B
SCHEMBL1284042 0.77 DRD2 (0.47) DRD3DRD2ADORA3ADORA2AADORA2B

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 DRD3 4321/4885DRD2 4691/4885KDM4E 4138/4885

“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.