SCHEMBL4591958

SCHEMBL4591958

NCCCc1ccc(-c2ccc(F)cc2F)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.39
DPP4 P27487 1/20 0.36
MPO P05164 3/20 0.36
TP53 P04637 2/20 0.36
MDM2 Q00987 2/20 0.36
KMO O15229 2/20 0.35
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MDM4 O15151 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
FEN1 P39748 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL4591859 0.80 MCHR1 (0.48) CHRM1HTR2AMCHR1
SCHEMBL4592464 0.74 MAOB (0.38) TP53KMOCHRM1HTR2AMCHR1
SCHEMBL13734590 0.72 HTR2C (0.36) ALPLTP53MDM2KMOMDM4
SCHEMBL13273285 0.70 ALPL (0.43) ALPLTP53MDM2KMOHDAC1
SCHEMBL9057024 0.70 ALPL (0.43) ALPLTP53MDM2KMOGABRG2
SCHEMBL9057968 0.70 ALPL (0.44) ALPLKMO
SCHEMBL4592094 0.68 MCHR1 (0.46) CHRM1HTR2AMCHR1
SCHEMBL25591567 0.68 ALPL (0.48) ALPLKMO
SCHEMBL2609364 0.67 ALPL (0.40) ALPLTP53MDM2KMOGABRG2
SCHEMBL4592191 0.67 MCHR1 (0.48) CHRM1HTR2AMCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALPL 4565/4885DPP4 922/4885MPO 1344/4885

“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.