SCHEMBL13034740

SCHEMBL13034740

CCOC(=O)/C=C/c1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cn2c1CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MC4R P32245 3/20 0.33
SLC2A1 P11166 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8035783 0.84 NPC1 (0.33) HDAC1NPC1RAB9AMC4R
SCHEMBL8046080 0.76 MC4R (0.39) NPC1RAB9AMC4RSLC2A1ALDH1A1
SCHEMBL3045604 0.75 PDE4A (0.45) NPC1RAB9AMC4RSLC2A1LPAR1
SCHEMBL8034742 0.73 MC4R (0.37) HDAC1MC4RSLC2A1
SCHEMBL8037842 0.72 SLC2A1 (0.37) NPC1RAB9AMC4RSLC2A1
SCHEMBL12990422 0.70 MCHR1 (0.39) MC4RSLC2A1ALDH1A1
SCHEMBL8037985 0.70 MC4R (0.41) MC4RSLC2A1LPAR1LPAR5
SCHEMBL3045449 0.69 KDM4E (0.51) NPC1RAB9AMC4RALDH1A1
SCHEMBL14046585 0.69 SLC2A2 (0.41) SLC2A1
SCHEMBL12990120 0.69 MC4R (0.49) MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 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-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS MC4R, MC5R, MC3R HDAC1 562/4885NPC1 3896/4885RAB9A 2290/4885

“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.