SCHEMBL4226299

SCHEMBL4226299

O=C(O)N(Cc1ccccc1)CC1Cc2cccc(-c3ccccc3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.44
AVPR1A P37288 7/20 0.44
GPR52 Q9Y2T5 1/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
LPAR1 Q92633 1/20 0.37
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4220726 0.93 OXTR (0.42) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4219277 0.93 OXTR (0.44) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4226527 0.93 OXTR (0.46) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4220389 0.91 OXTR (0.47) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4231442 0.90 PRKAB2 (0.41) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4234044 0.90 PRKAB2 (0.44) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4224567 0.90 GPR52 (0.49) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4220116 0.90 PRKAB2 (0.46) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4221875 0.90 DHPS (0.39) OXTRAVPR1AGPR52PRKAB2PRKAG1
SCHEMBL4219994 0.89 PRKAB2 (0.47) OXTRAVPR1APRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 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 (3 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A OXTR 236/4885AVPR1A 122/4885GPR52 67/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A OXTR 236/4885AVPR1A 122/4885GPR52 67/4885
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.