SCHEMBL4596313

SCHEMBL4596313

COc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)OC(CN(Cc1ccccc1)C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
AQP1 P29972 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
TSHR P16473 2/20 0.36
GHSR Q92847 3/20 0.35
CHRM5 P08912 2/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS2R14 Q9NYV8 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
SCHEMBL4225416 0.86 MEN1 (0.37) MEN1KMT2AAQP1GHSROXTR
SCHEMBL6368238 0.84 AQP1 (0.47) MEN1KMT2AAQP1GHSROXTR
SCHEMBL4596610 0.82 SIRT2 (0.40) MEN1KMT2AAQP1LPAR1MAPT
SCHEMBL6367685 0.81 AQP1 (0.46) MEN1KMT2AAQP1GHSROXTR
SCHEMBL4595340 0.81 SIRT2 (0.36) S1PR4MEN1KMT2AAQP1LPAR1
SCHEMBL4231349 0.81 OXTR (0.38) TSHRGHSROXTRAVPR1A
SCHEMBL4220381 0.80 AQP1 (0.45) S1PR2S1PR4AQP1MAPTALDH1A1
SCHEMBL4229920 0.80 AQP1 (0.45) MEN1KMT2AAQP1LPAR1GHSR
SCHEMBL5002222 0.80 OXTR (0.42) MEN1KMT2AGHSROXTRAVPR1A
SCHEMBL6367387 0.79 PDK1 (0.40) GHSROXTRAVPR1A

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 S1PR2 323/4885S1PR4 565/4885MEN1 3860/4885

“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.