SCHEMBL4757343

SCHEMBL4757343

COc1ccc2cc(C(C(=O)N3CCC(NC(=O)O)CC3)C3CCCCC3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SMYD3 Q9H7B4 2/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CHRM3 P20309 2/20 0.46
C3AR1 Q16581 2/20 0.45
EPHX2 P34913 1/20 0.43
MCHR1 Q99705 1/20 0.43
HPGDS O60760 1/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL3985546 0.83 POLB (0.50) POLBSMYD3ALDH1A1TSHREPHX2
SCHEMBL4114787 0.79 EPHX2 (0.54) CHRM3EPHX2
SCHEMBL8479983 0.78 SLC6A3 (0.64) POLBSMYD3
SCHEMBL13825986 0.77 POLB (0.77) POLBSMYD3TSHRPTGS2PTGS1
SCHEMBL3992224 0.76 CHRM3 (0.52) TSHRCHRM3C3AR1EPHX2
SCHEMBL3986502 0.76 CHRM3 (0.52) TSHRCHRM3C3AR1EPHX2
SCHEMBL16002868 0.75 POLB (0.77) POLBSMYD3TSHRMCHR1PTGS2
SCHEMBL3984032 0.75 CHRM3 (0.51) CHRM3MAPT
SCHEMBL8485305 0.75 SLC6A3 (0.49) POLBSMYD3TSHRPTGS2PTGS1
SCHEMBL11730090 0.72 POLB (0.72) POLBSMYD3TSHRPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402698-B2 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2008-07-22 US disclosed
EP-1673084-B1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH CORP (US) 2008-07-09 EP disclosed
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2005-10-20 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-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 POLB 762/4885SMYD3 1241/4885ALDH1A1 1565/4885

“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.