SCHEMBL6372240

SCHEMBL6372240

O=C(O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.46
AVPR1A P37288 5/20 0.46
GPR52 Q9Y2T5 1/20 0.40
HTT P42858 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
RECQL P46063 1/20 0.37
CNR2 P34972 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 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
SCHEMBL4219301 0.88 OXTR (0.43) OXTRAVPR1AGPR52HTTPPARG
SCHEMBL4224567 0.87 GPR52 (0.49) OXTRAVPR1AGPR52PPARGPPARA
SCHEMBL4226164 0.86 TDP1 (0.43) OXTRAVPR1AGPR52HTTLPAR1
SCHEMBL4224732 0.85 OXTR (0.41) OXTRAVPR1ALPAR1LPAR5ALDH1A1
SCHEMBL4226299 0.85 OXTR (0.44) OXTRAVPR1AGPR52LPAR1ALDH1A1
SCHEMBL4224856 0.84 GPR52 (0.55) OXTRAVPR1AGPR52HTTATM
SCHEMBL4229060 0.84 OXTR (0.39) OXTRAVPR1APPARGLPAR1LPAR5
SCHEMBL4225092 0.83 OXTR (0.48) OXTRAVPR1AGPR52HTTPPARG
SCHEMBL4596575 0.83 TDP1 (0.42) OXTRAVPR1AGPR52HTTLPAR1
SCHEMBL4226527 0.83 OXTR (0.46) OXTRAVPR1AGPR52LPAR1ALDH1A1

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 OXTR 186/4885AVPR1A 28/4885GPR52 75/4885

“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.