SCHEMBL5434322

SCHEMBL5434322

CC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
LTA4H P09960 3/20 0.58
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
UTS2R Q9UKP6 2/20 0.57
CCR5 P51681 1/20 0.53
CCR2 P41597 5/20 0.53
DRD4 P21917 3/20 0.52
DRD2 P14416 1/20 0.51
TEAD1 P28347 1/20 0.51
MCHR1 Q99705 1/20 0.49

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
SCHEMBL5421451 1.00 SIGMAR1 (0.58) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL4591750 1.00 SIGMAR1 (0.58) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL4591127 0.92 KMT2A (0.56) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL4592089 0.92 SIGMAR1 (0.68) SIGMAR1LTA4HCCR5DRD4TEAD1
SCHEMBL7500995 0.86 DRD4 (0.67) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL7393471 0.86 DRD4 (0.67) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL1781392 0.86 DRD4 (0.67) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL12387529 0.85 LTA4H (0.57) LTA4HCCR2DRD4DRD2TEAD1
SCHEMBL12355214 0.85 LTA4H (0.57) LTA4HBCHEACHEBACE1CCR2
SCHEMBL4847104 0.84 SIGMAR1 (0.62) SIGMAR1BCHEACHEBACE1UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 SIGMAR1 59/4885LTA4H 1868/4885BCHE 2189/4885

“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.