SCHEMBL6069049

SCHEMBL6069049

O=C(O)c1ccc(C2=CCCc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.51
SRD5A1 P18405 1/20 0.51
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRD1 P41143 1/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
RXRA P19793 2/20 0.40
RARA P10276 2/20 0.40
NR2E1 Q9Y466 1/20 0.40
TRPA1 O75762 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
EGFR P00533 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
SCHEMBL6633214 0.86 MEN1 (0.45) RAB9ANPC1GAAMAPTTDP1
SCHEMBL12365040 0.83 SRD5A2 (0.58) SRD5A2SRD5A1RAB9ARARBRARG
SCHEMBL459641 0.83 CES1 (0.40) RAB9ANPC1MAPTCES1
SCHEMBL29987608 0.83 CES1 (0.40) RAB9ANPC1MAPTCES1
Cadaverine Tartrate SCHEMBL30208244 0.80 SRD5A1 (0.36) SRD5A2SRD5A1GAATDP1TSHR
SCHEMBL6068956 0.79 MEN1 (0.48) RAB9ANPC1MAPTTDP1TSHR
SCHEMBL6069018 0.79 SRD5A2 (0.56) SRD5A2SRD5A1RAB9AGAARARB
SCHEMBL5119030 0.78 CYP3A4 (0.42) RAB9ANPC1GAAMAPTTDP1
SCHEMBL12365082 0.78 ESR2 (0.46) SRD5A2SRD5A1RARBRARGRARA
SCHEMBL16340167 0.77 NPC1 (0.42) RAB9ANPC1GAAMAPTOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US disclosed
EP-1377584-B1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH CORP (US) 2005-02-16 EP disclosed
EP-1377584-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS Wyeth (US) 2004-01-07 EP disclosed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US disclosed
WO-2002083681-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH (US) 2002-10-24 WO 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-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B SRD5A2 1171/4885SRD5A1 1127/4885RAB9A 4576/4885

“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.