SCHEMBL4591965

SCHEMBL4591965

CN(C(=O)C1CC1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
DPP4 P27487 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 1/20 0.32
BCHE P06276 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL4592557 0.98 HPGD (0.40) HPGDALDH1A1POLBTSHRDPP4
SCHEMBL6632132 0.75 ALDH1A1 (0.36) HPGDALDH1A1TSHRHRH3MEN1
SCHEMBL4592349 0.73 CHRM2 (0.37) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL4591978 0.72 L3MBTL1 (0.34) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL4591962 0.72 HPGD (0.33) HPGDPOLB
SCHEMBL7079770 0.71 L3MBTL1 (0.35) ALDH1A1TSHRHTT
SCHEMBL4591961 0.70 CHRM2 (0.38) HPGDALDH1A1DPP4MEN1KMT2A
SCHEMBL4592224 0.70 L3MBTL1 (0.32) HPGDALDH1A1MEN1KMT2ACHRM2
SCHEMBL4592553 0.69 MEN1 (0.33) HPGDALDH1A1POLBMEN1KMT2A
SCHEMBL10782723 0.69 L3MBTL1 (0.32)

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 HPGD 3220/4885ALDH1A1 3960/4885POLB 3623/4885

“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.