SCHEMBL4591127

SCHEMBL4591127

CC(=O)NC1CCCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.51
LTA4H P09960 1/20 0.51
UTS2R Q9UKP6 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
TNIK Q9UKE5 1/20 0.50
CCR2 P41597 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
PDCD1LG2 Q9BQ51 1/20 0.48
CD274 Q9NZQ7 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
SCHEMBL5434322 0.92 SIGMAR1 (0.58) LTA4HUTS2RSIGMAR1CCR2BCHE
SCHEMBL4591750 0.92 SIGMAR1 (0.58) LTA4HUTS2RSIGMAR1CCR2BCHE
SCHEMBL5421451 0.92 SIGMAR1 (0.58) LTA4HUTS2RSIGMAR1CCR2BCHE
SCHEMBL11949312 0.87 DRD2 (0.57) KMT2ANPC1LTA4HCCR2
SCHEMBL16007156 0.87 DRD2 (0.57) KMT2ANPC1LTA4HCCR2
SCHEMBL4592089 0.84 SIGMAR1 (0.68) KMT2ALTA4HSIGMAR1
SCHEMBL7600259 0.83 DPP7 (0.56) LTA4HCCR2
SCHEMBL4591230 0.80 CCR3 (0.57) KMT2AMEN1TNIKBCHE
SCHEMBL7500995 0.79 DRD4 (0.67) KMT2ALTA4HSIGMAR1BCHEACHE
SCHEMBL7393471 0.79 DRD4 (0.67) KMT2ALTA4HSIGMAR1BCHEACHE

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 KMT2A 474/4885MEN1 2624/4885NPC1 1939/4885

“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.