SCHEMBL5111159

SCHEMBL5111159

CN1C[C@H](Cc2ccc(Cl)cc2)[C@@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
S1PR5 Q9H228 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5111156 1.00 MEN1 (0.46) MEN1KMT2AS1PR5TSHRALDH1A1
SCHEMBL13127866 0.88 MEN1 (0.43) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL14948183 0.86 S1PR1 (0.42) S1PR5
SCHEMBL5119012 0.85 SLC6A2 (0.43) ALDH1A1L3MBTL1
SCHEMBL4662784 0.85 SLC6A2 (0.43) ALDH1A1L3MBTL1
SCHEMBL5119008 0.85 SLC6A2 (0.43) ALDH1A1L3MBTL1
SCHEMBL4768825 0.83 TSHR (0.41) MEN1KMT2AS1PR5TSHRALDH1A1
SCHEMBL4768832 0.83 TSHR (0.41) MEN1KMT2AS1PR5TSHRALDH1A1
SCHEMBL8207589 0.77 MEN1 (0.44) MEN1KMT2ATSHRHSD17B10
SCHEMBL1267675 0.74 MEN1 (0.68) MEN1KMT2AALDH1A1L3MBTL1GAA

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MEN1 2302/4885KMT2A 3407/4885S1PR5 3915/4885

“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.