SCHEMBL4592206

SCHEMBL4592206

O[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
SLC18A3 Q16572 3/20 0.45
FUCA1 P04066 2/20 0.45
OPRM1 P35372 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
SCHEMBL5428009 1.00 BCHE (0.52) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL4591692 0.88 FUCA1 (0.56) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL1239295 0.85 ALDH1A1 (0.57) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL1241903 0.85 ALDH1A1 (0.57) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL1239292 0.85 ALDH1A1 (0.57) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL5157349 0.83 FUCA1 (0.66) BCHEACHEBACE1ALDH1A1SIGMAR1
SCHEMBL5157969 0.83 FUCA1 (0.66) BCHEACHEBACE1ALDH1A1SIGMAR1
SCHEMBL1927705 0.81 ALDH1A1 (0.58) BCHEACHEBACE1ALDH1A1KDM4E
SCHEMBL18321438 0.80 BCHE (0.56) BCHEACHEBACE1ALDH1A1SIGMAR1
SCHEMBL18321436 0.80 BCHE (0.56) BCHEACHEBACE1ALDH1A1SIGMAR1

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
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 BCHE 2189/4885ACHE 3017/4885BACE1 4071/4885

“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.