SCHEMBL3756402

SCHEMBL3756402

CN1CCOC(CN(C)c2nc3cc(N)ccc3o2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
CASP3 P42574 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
IL6 P05231 1/20 0.35
STAT3 P40763 1/20 0.35
EPHA2 P29317 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
Hydrochloric Acid SCHEMBL3753703 0.99 RAB9A (0.37) RAB9ANPC1CASP3MEN1KMT2A
SCHEMBL3747003 0.84 NPC1 (0.41) RAB9ANPC1CASP3MEN1KMT2A
Hydrochloric Acid SCHEMBL3753738 0.83 NPC1 (0.40) RAB9ANPC1CASP3MEN1KMT2A
SCHEMBL18344185 0.77 RAB9A (0.43) RAB9ANPC1CASP3MEN1KMT2A
SCHEMBL5244396 0.75 MAPT (0.51) RXFP1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL13054294 0.75 MAPT (0.51) RXFP1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3744427 0.75 NPC1 (0.43) RAB9ANPC1CASP3MEN1KMT2A
Hydrochloric Acid SCHEMBL3748830 0.74 NPC1 (0.43) RAB9ANPC1CASP3MEN1KMT2A
SCHEMBL4643630 0.74 MAPT (0.41) RAB9ANPC1RXFP1SMN1; SMN2ALDH1A1
SCHEMBL3751060 0.73 PIK3CA (0.44) RAB9ANPC1CASP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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 RAB9A 1154/4885NPC1 689/4885CASP3 4611/4885

“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.