SCHEMBL13683405

SCHEMBL13683405

CCN(CC(C)(C)C)CC(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MLYCD O95822 1/20 0.31
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30412178 0.92 ALDH1A1 (0.37) ALDH1A1MLYCD
SCHEMBL5886704 0.86 ALDH1A1 (0.37) ALDH1A1MLYCD
SCHEMBL9281487 0.86 TSHR (0.38) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL25276314 0.83 MLYCD (0.36) ALDH1A1MLYCD
SCHEMBL9284822 0.80 TSHR (0.38) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL19619702 0.77 ALDH1A1 (0.30) ALDH1A1MLYCD
SCHEMBL1813722 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL25372183 0.75 CYP1A2 (0.42) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL14503939 0.75 MAPT (0.32) ALDH1A1HPGD
SCHEMBL21015917 0.74

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US 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

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 ALDH1A1 3960/4885MLYCD 490/4885CYP2C9 2059/4885

“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.