SCHEMBL4596601

SCHEMBL4596601

CN(CC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AQP1 P29972 2/20 0.36
GPBAR1 Q8TDU6 5/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER1 P34995 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CYP2C9 P11712 1/20 0.34
CACNA1H O95180 1/20 0.34
S1PR4 O95977 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL4595335 0.94 GPBAR1 (0.36) MEN1KMT2AAQP1GPBAR1NPC1
SCHEMBL6373736 0.93 AQP1 (0.46) MEN1KMT2AAQP1GPBAR1NPC1
SCHEMBL6374684 0.88 PTGER1 (0.38) AQP1GPBAR1ALDH1A1PTGER1SIRT2
SCHEMBL4596626 0.86 AQP1 (0.55) AQP1GPBAR1NPC1ALDH1A1MAPT
SCHEMBL4220872 0.84 AQP1 (0.42) MEN1KMT2AAQP1SIRT2S1PR4
SCHEMBL4596670 0.84 PRKAB2 (0.37) AQP1GPBAR1NPC1ALDH1A1MAPT
SCHEMBL4220797 0.83 FABP4 (0.37) ALDH1A1L3MBTL1
SCHEMBL4233589 0.82 AQP1 (0.38) AQP1ALDH1A1L3MBTL1
SCHEMBL4596610 0.80 SIRT2 (0.40) MEN1KMT2AAQP1NPC1ALDH1A1
SCHEMBL6368107 0.79 AQP1 (0.37) KMT2AAQP1GPBAR1NPC1RAB9A

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 MEN1 3860/4885KMT2A 506/4885AQP1 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.