SCHEMBL6368474

SCHEMBL6368474

O=C(O)N(Cc1ccccc1)CC1Cc2cc(Cl)cc(-c3cccc(F)c3F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AQP1 P29972 3/20 0.36
SIRT2 Q8IXJ6 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
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4231349 0.86 OXTR (0.38) HTR2ATDP1SIRT2OXTRAVPR1A
SCHEMBL4229920 0.85 AQP1 (0.45) AQP1SIRT2LPAR1LPAR5OXTR
SCHEMBL5002222 0.85 OXTR (0.42) SIRT2OXTRAVPR1AGHSRMEN1
SCHEMBL6367712 0.84 TDP1 (0.41) TDP1AQP1SIRT2LPAR1LPAR5
SCHEMBL6368238 0.83 AQP1 (0.47) AQP1SIRT2OXTRAVPR1AALDH1A1
SCHEMBL4596575 0.83 TDP1 (0.42) HTR2ATDP1PRKAB2PRKAG1PRKAA2
SCHEMBL4226164 0.82 TDP1 (0.43) HTR2ATDP1PRKAB2PRKAG1PRKAA2
SCHEMBL4231505 0.82 AQP1 (0.47) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL6047928 0.81 OXTR (0.37) TDP1AQP1SIRT2PRKAB2PRKAG1
SCHEMBL4595432 0.81 SIRT2 (0.52) HTR2AAQP1SIRT2PRKAB2PRKAG1

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 HTR2A 2/4885TDP1 2315/4885AQP1 2290/4885

“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.