SCHEMBL4225972

SCHEMBL4225972

Cc1cccc(C)c1-c1cccc2c1OC(CN(Cc1ccccc1)C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
OXTR P30559 6/20 0.40
AVPR1A P37288 6/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
MYC P01106 1/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4224732 0.92 OXTR (0.41) TDP1OXTRAVPR1APRKAB2PRKAG1
SCHEMBL4596575 0.88 TDP1 (0.42) TDP1OXTRAVPR1APRKAB2PRKAG1
SCHEMBL6368626 0.88 AQP1 (0.40) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4219277 0.88 OXTR (0.44) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4226299 0.87 OXTR (0.44) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL6367712 0.87 TDP1 (0.41) TDP1OXTRAVPR1AALDH1A1LMNA
SCHEMBL6047928 0.86 OXTR (0.37) TDP1OXTRAVPR1APRKAB2PRKAG1
SCHEMBL4234044 0.85 PRKAB2 (0.44) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4226073 0.85 OXTR (0.52) OXTRAVPR1APRKAB2PRKAG1PRKAA2
SCHEMBL4229060 0.84 OXTR (0.39) 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 TDP1 1482/4885OXTR 236/4885AVPR1A 122/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A TDP1 1482/4885OXTR 236/4885AVPR1A 122/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A TDP1 2315/4885OXTR 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.