SCHEMBL3753989

SCHEMBL3753989

CN(C)CCN(C)c1nc2ccc(NC(=O)c3ccccc3I)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
TP53 P04637 4/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL3752261 0.84 RAB9A (0.49) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL5248395 0.82 MCHR1 (0.64) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL5249250 0.80 MAPT (0.51) MCHR1TP53MAPTKDM4EMEN1
SCHEMBL13054261 0.78 MCHR1 (0.59) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL3749104 0.78 MCHR1 (0.56) MCHR1TP53MAPTLMNAMEN1
SCHEMBL3752279 0.78 MCHR1 (0.57) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL5245596 0.78 MCHR1 (0.51) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL14100060 0.78 MCHR1 (0.51) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL4642978 0.78 MCHR1 (0.56) MCHR1TP53MAPTLMNAKDM4E
SCHEMBL13054242 0.77 RAB9A (0.45) MCHR1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885TP53 4472/4885MAPT 1507/4885

“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.