SCHEMBL4595335

SCHEMBL4595335

Cc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)OC(CN(C)C(=O)OCc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.36
S1PR4 O95977 2/20 0.36
AQP1 P29972 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER1 P34995 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4596601 0.94 MEN1 (0.36) GPBAR1S1PR4AQP1MEN1KMT2A
SCHEMBL6373736 0.91 AQP1 (0.46) GPBAR1AQP1MEN1KMT2ANPC1
SCHEMBL4231582 0.85 AQP1 (0.40) S1PR4AQP1MEN1KMT2AALDH1A1
SCHEMBL6374684 0.84 PTGER1 (0.38) GPBAR1AQP1ALDH1A1PTGER1CACNA1H
SCHEMBL4596626 0.84 AQP1 (0.55) GPBAR1AQP1NPC1ALDH1A1MAPT
SCHEMBL4595340 0.82 SIRT2 (0.36) S1PR4AQP1MEN1KMT2AALDH1A1
SCHEMBL4596571 0.81 PRKAB2 (0.39) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL4220797 0.81 FABP4 (0.37) ALDH1A1L3MBTL1PTGDR2
SCHEMBL4596670 0.80 PRKAB2 (0.37) GPBAR1AQP1NPC1ALDH1A1MAPT
SCHEMBL4831109 0.80 AQP1 (0.40) S1PR4AQP1

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 GPBAR1 281/4885S1PR4 565/4885AQP1 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.