SCHEMBL4591230

SCHEMBL4591230

CC(=O)NCC1CCCN(Cc2ccc(Br)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
BCHE P06276 1/20 0.52
POLB P06746 3/20 0.52
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
ACKR3 P25106 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TNIK Q9UKE5 1/20 0.48
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4592789 0.85 HDAC3 (0.54) CCR3BCHEALDH1A1
SCHEMBL4591127 0.80 KMT2A (0.56) KMT2AMEN1BCHETNIK
SCHEMBL9046417 0.80 ACHE (0.60) BCHEDRD2DRD4DRD3
SCHEMBL5424601 0.79 CYP2D6 (0.70) KMT2AMEN1BCHEGAAALDH1A1
SCHEMBL4591840 0.79 CYP2D6 (0.70) KMT2AMEN1BCHEGAAALDH1A1
SCHEMBL5431804 0.79 CYP2D6 (0.70) KMT2AMEN1BCHEGAAALDH1A1
SCHEMBL14532427 0.79 HPGD (0.44) CCR3KMT2AMEN1BCHEPOLB
SCHEMBL1543281 0.77 BCHE (0.68) CCR3KMT2AMEN1BCHEPOLB
SCHEMBL23992152 0.76 CCR3 (0.45) CCR3KMT2AMEN1BCHEDRD2
SCHEMBL22452866 0.75 MEN1 (0.67) KMT2AMEN1GAAALDH1A1L3MBTL1

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 CCR3 769/4885KMT2A 474/4885MEN1 2624/4885

“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.