SCHEMBL4592218

SCHEMBL4592218

CC(=O)N(C)C1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.64
CHRM3 P20309 6/20 0.64
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KCNH2 Q12809 4/20 0.52
GPR119 Q8TDV5 3/20 0.52
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
CCR5 P51681 1/20 0.51
TNIK Q9UKE5 1/20 0.50
LTA4H P09960 1/20 0.50
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4591814 0.92 LTA4H (0.59) CHRM2CHRM3KDM4EALDH1A1KCNH2
SCHEMBL5418139 0.92 LTA4H (0.59) CHRM2CHRM3KDM4EALDH1A1KCNH2
SCHEMBL5430931 0.92 LTA4H (0.59) CHRM2CHRM3KDM4EALDH1A1KCNH2
SCHEMBL19658472 0.87 KCNH2 (0.53) CHRM2CHRM3KDM4EALDH1A1KCNH2
SCHEMBL14100439 0.87 KCNH2 (0.53) CHRM2CHRM3KCNH2GPR119SIGMAR1
SCHEMBL9030647 0.86 SIGMAR1 (0.67) CHRM2CHRM3KCNH2SIGMAR1DRD2
SCHEMBL4592764 0.84 MEN1 (0.53) CHRM2CHRM3KDM4EALDH1A1TNIK
SCHEMBL4592032 0.84 ACHE (0.58) CHRM2CHRM3KDM4EALDH1A1SIGMAR1
SCHEMBL19658476 0.84 CHRM2 (0.57) CHRM2CHRM3KCNH2GPR119SIGMAR1
SCHEMBL19658764 0.83 MEN1 (0.54) CHRM2CHRM3ALDH1A1KCNH2GPR119

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 CHRM2 56/4885CHRM3 142/4885KDM4E 1313/4885

“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.