SCHEMBL1615070

SCHEMBL1615070

CCCCn1c(-c2ccc(OCCc3ccc(CO)cc3)cc2)nc2ccc(OCCCN(CC)CC)cc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.60
DRD2 P14416 12/20 0.60
AVPR1B P47901 1/20 0.41
AGER Q15109 2/20 0.39
RORC P51449 1/20 0.39
PIN1 Q13526 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL1282965 0.92 DRD3 (0.61) DRD3DRD2
SCHEMBL1283284 0.91 DRD3 (0.60) DRD3DRD2AGER
SCHEMBL13348991 0.90 DRD3 (0.58) DRD3DRD2AVPR1BRORCADORA3
SCHEMBL1283363 0.88 DRD3 (0.62) DRD3DRD2AGER
SCHEMBL1282921 0.88 DRD3 (0.55) DRD3DRD2AGERADORA3ADORA2A
SCHEMBL1283264 0.86 DRD3 (0.60) DRD3DRD2AGER
SCHEMBL1283496 0.85 DRD3 (0.59) DRD3DRD2AGER
SCHEMBL1284207 0.84 DRD3 (0.51) DRD3DRD2AGER
SCHEMBL1283543 0.84 DRD3 (0.68) DRD3DRD2AVPR1B
SCHEMBL1283458 0.84 DRD3 (0.53) DRD3DRD2AVPR1BAGER

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 4691/4885AVPR1B 1841/4885

“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.