SCHEMBL4267540

SCHEMBL4267540

Nc1ccc(OCCN2CCC(O)CC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM1A O60341 2/20 0.47
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ERBB2 P04626 3/20 0.45
EGFR P00533 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL3866392 0.87 CYP1A2 (0.64) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1024536 0.85 TSHR (0.61) KDM4ECYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL4276372 0.85 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23839371 0.84 SMN1; SMN2 (0.52) KDM4EKDM1AALDH1A1ERBB2EGFR
SCHEMBL14233388 0.83 TSHR (0.64) KDM4ECYP1A2CYP2D6CYP2C19LTA4H
Hydrochloric Acid SCHEMBL1641395 0.83 LTA4H (0.60) KDM4ECYP1A2CYP2D6CYP2C19LTA4H
SCHEMBL4266650 0.82 POLB (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4270048 0.81 TSHR (0.63) KDM4ELTA4HALDH1A1MAPTHTT
SCHEMBL21337883 0.81 HTR2A (0.41) CYP1A2CYP2D6CYP2C9CYP2C19LTA4H
SCHEMBL4696312 0.80 HTR2A (0.54) CYP1A2CYP2D6CYP2C9CYP2C19HTR2A

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
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
EP-1730130-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP disclosed
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005085221-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity MCHR2, MCHR1, NPY1R KDM4E 418/4885CYP1A2 1685/4885CYP2D6 3542/4885

“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.