SCHEMBL4592089

SCHEMBL4592089

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.68
CCR5 P51681 1/20 0.61
DRD4 P21917 2/20 0.60
LTA4H P09960 2/20 0.57
KMT2A Q03164 2/20 0.55
CYP2D6 P10635 2/20 0.55
MCHR1 Q99705 2/20 0.55
CHRM1 P11229 1/20 0.55
HTR2A P28223 1/20 0.55
TEAD1 P28347 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL4591750 0.92 SIGMAR1 (0.58) SIGMAR1CCR5DRD4LTA4HMCHR1
SCHEMBL5434322 0.92 SIGMAR1 (0.58) SIGMAR1CCR5DRD4LTA4HMCHR1
SCHEMBL5421451 0.92 SIGMAR1 (0.58) SIGMAR1CCR5DRD4LTA4HMCHR1
SCHEMBL12184810 0.87 SIGMAR1 (0.67) SIGMAR1DRD4LTA4HKMT2ACYP2D6
SCHEMBL4591633 0.86 SIGMAR1 (0.65) SIGMAR1DRD4KMT2AMCHR1TEAD1
SCHEMBL4592787 0.86 SIGMAR1 (0.73) SIGMAR1DRD4KMT2A
SCHEMBL3164487 0.85 SIGMAR1 (0.74) SIGMAR1DRD4KMT2ACYP2D6MCHR1
SCHEMBL4591127 0.84 KMT2A (0.56) SIGMAR1LTA4HKMT2A
SCHEMBL9727102 0.83 SIGMAR1 (0.72) SIGMAR1DRD4LTA4HKMT2AMCHR1
SCHEMBL12511819 0.82 SIGMAR1 (0.70) SIGMAR1CCR5LTA4HKMT2AMCHR1

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 59/4885CCR5 495/4885DRD4 249/4885

“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.