SCHEMBL6367387

SCHEMBL6367387

Cc1ccc(Cl)cc1-c1cccc2c1OC(CN(Cc1ccccc1)C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
OXTR P30559 5/20 0.38
AVPR1A P37288 5/20 0.38
GHSR Q92847 4/20 0.37
CHRM1 P11229 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PTGER1 P34995 3/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6367692 0.92 OXTR (0.41) PDK1OXTRAVPR1AGHSRPRKAB2
SCHEMBL4225416 0.91 MEN1 (0.37) OXTRAVPR1AGHSRNR1H4PRKAB2
SCHEMBL4233789 0.89 AQP1 (0.43) OXTRAVPR1AGHSRPRKAB2PRKAG1
SCHEMBL4224732 0.89 OXTR (0.41) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4220726 0.87 OXTR (0.42) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4231442 0.86 PRKAB2 (0.41) OXTRAVPR1AGHSRCHRM1PRKAB2
SCHEMBL4231349 0.86 OXTR (0.38) OXTRAVPR1AGHSRPTGER1TMEM97
SCHEMBL4229060 0.86 OXTR (0.39) PDK1OXTRAVPR1AGHSRPRKAB2
SCHEMBL6047928 0.85 OXTR (0.37) OXTRAVPR1AGHSRPRKAB2PRKAG1
SCHEMBL6367712 0.84 TDP1 (0.41) OXTRAVPR1AGHSRPTGER1

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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PDK1 2152/4885OXTR 186/4885AVPR1A 28/4885

“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.