SCHEMBL4229679

SCHEMBL4229679

Cc1ccccc1-c1cc(F)cc2c1OC(CN(Cc1ccccc1)C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.42
AVPR1A P37288 6/20 0.42
AQP1 P29972 3/20 0.40
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
SLC6A9 P48067 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
SCHEMBL4231505 0.89 AQP1 (0.47) OXTRAVPR1AAQP1LPAR1LPAR5
SCHEMBL4231349 0.88 OXTR (0.38) OXTRAVPR1ATSHRMAPK1PPARG
SCHEMBL4219301 0.87 OXTR (0.43) OXTRAVPR1AAQP1LPAR1LPAR5
SCHEMBL4231836 0.86 AQP1 (0.42) AQP1MAPK1ALDH1A1GPBAR1SLC6A9
SCHEMBL4224732 0.86 OXTR (0.41) OXTRAVPR1ATSHRMAPK1LPAR1
SCHEMBL4596829 0.84 AQP1 (0.58) OXTRAVPR1AAQP1LPAR1LPAR5
SCHEMBL4596391 0.84 OXTR (0.40) OXTRAVPR1ATSHRMAPK1LPAR1
SCHEMBL6368107 0.84 AQP1 (0.37) AQP1NPSR1GPBAR1SLC6A9
SCHEMBL4225972 0.81 TDP1 (0.43) OXTRAVPR1ATSHRMAPK1LPAR1
SCHEMBL4969988 0.80 AQP1 (0.46) AQP1GPBAR1

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 122/4885AQP1 1105/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A OXTR 236/4885AVPR1A 122/4885AQP1 1105/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A OXTR 186/4885AVPR1A 28/4885AQP1 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.