SCHEMBL6538473

SCHEMBL6538473

CCCCCCOc1ccc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL15019539 1.00 GPR119 (0.52) GPR119DRD2DRD4DRD3MEN1
SCHEMBL5717335 0.86 GPR119 (0.49) GPR119DRD2DRD3
SCHEMBL15020023 0.85 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL4670214 0.84 HRH3 (0.66) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL3138690 0.83 GPR119 (0.46) GPR119DRD2ALDH1A1
SCHEMBL6538566 0.81 DRD2 (0.51) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6802425 0.81 ALDH1A1 (0.55) GPR119DRD2MEN1KMT2AALDH1A1
SCHEMBL2284753 0.81 MAOB (0.57) GPR119DRD2DRD3MEN1KMT2A
SCHEMBL7340453 0.81 MAPT (0.55) GPR119MEN1KMT2AALDH1A1LMNA
SCHEMBL15959935 0.81 GPR119 (0.47) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA GPR119 245/4885DRD2 3896/4885DRD4 4036/4885

“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.