SCHEMBL3748609

SCHEMBL3748609

CC(C)(C)OC(=O)N1CCC(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
RIPK1 Q13546 1/20 0.48
DYRK1A Q13627 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
XBP1 P17861 1/20 0.47
RECQL P46063 1/20 0.47
AHR P35869 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
STAT1 P42224 1/20 0.44

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
SCHEMBL18987161 0.86 IDO1 (0.53) DYRK1AALDH1A1MAPTL3MBTL1HTT
SCHEMBL13054181 0.82 NR1D1 (0.48) KMT2ADYRK1AALDH1A1MAPTMEN1
SCHEMBL3751066 0.81 NR1D1 (0.46) KMT2ADYRK1AALDH1A1MAPTMEN1
SCHEMBL3751063 0.81 NR1D1 (0.48) KMT2ADYRK1AALDH1A1MAPTMEN1
SCHEMBL18987182 0.81 USP30 (0.65) L3MBTL1IDO1TDO2USP30
SCHEMBL31286843 0.81 L3MBTL1 (0.48) DYRK1AALDH1A1MAPTL3MBTL1HTT
SCHEMBL31286767 0.74 L3MBTL1 (0.47) DYRK1AALDH1A1MAPTL3MBTL1HTT
SCHEMBL13960438 0.74 IDO1 (0.51) IDO1TDO2
SCHEMBL3949427 0.73 DYRK1A (0.70) KMT2ADYRK1AALDH1A1MAPTMEN1
SCHEMBL30493298 0.73 DYRK1A (0.70) KMT2ADYRK1AALDH1A1MAPTMEN1

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 8 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-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
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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 1012/4885RIPK1 3842/4885DYRK1A 838/4885

“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.