SCHEMBL4596829

SCHEMBL4596829

O=C(O)N(Cc1ccccc1)CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.58
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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 0.91 AQP1 (0.47) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL4229920 0.91 AQP1 (0.45) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL4596351 0.88 AQP1 (0.45) AQP1OXTRAVPR1AMEN1KMT2A
SCHEMBL6368626 0.87 AQP1 (0.40) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL4229679 0.84 OXTR (0.42) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL6047928 0.83 OXTR (0.37) AQP1OXTRAVPR1ATDP1
SCHEMBL6367712 0.82 TDP1 (0.41) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL4219301 0.82 OXTR (0.43) AQP1LPAR1LPAR5OXTRAVPR1A
SCHEMBL4229060 0.81 OXTR (0.39) LPAR1LPAR5OXTRAVPR1AMEN1
SCHEMBL6368474 0.81 HTR2A (0.38) AQP1LPAR1LPAR5OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
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 AQP1 2290/4885LPAR1 460/4885LPAR5 441/4885

“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.