SCHEMBL4591633

SCHEMBL4591633

CNC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.65
DRD4 P21917 5/20 0.58
KMT2A Q03164 4/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 1/20 0.55
TNIK Q9UKE5 1/20 0.52
MCHR1 Q99705 2/20 0.52
TEAD1 P28347 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL14100464 0.88 SIGMAR1 (0.64) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL4592089 0.86 SIGMAR1 (0.68) SIGMAR1DRD4KMT2AMCHR1TEAD1
SCHEMBL4592787 0.84 SIGMAR1 (0.73) SIGMAR1DRD4KMT2A
SCHEMBL28361504 0.81 SIGMAR1 (0.57) SIGMAR1DRD4KMT2AMEN1TNIK
SCHEMBL2636348 0.81 KDM4E (0.60) SIGMAR1TNIKKDM4EALDH1A1
SCHEMBL9592070 0.80 MCHR1 (0.71) SIGMAR1DRD4MCHR1
SCHEMBL5434322 0.78 SIGMAR1 (0.58) SIGMAR1DRD4DRD2MCHR1TEAD1
SCHEMBL4591750 0.78 SIGMAR1 (0.58) SIGMAR1DRD4DRD2MCHR1TEAD1
SCHEMBL5421451 0.78 SIGMAR1 (0.58) SIGMAR1DRD4DRD2MCHR1TEAD1
SCHEMBL4039839 0.78 SIGMAR1 (0.80) SIGMAR1

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
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
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 SIGMAR1 59/4885DRD4 249/4885KMT2A 474/4885

“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.