SCHEMBL3751066

SCHEMBL3751066

CCN(CC1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.46
RAB9A P51151 2/20 0.42
DYRK2 Q92630 1/20 0.42
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
RECQL P46063 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL13054181 0.90 NR1D1 (0.48) NR1D1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3751063 0.84 NR1D1 (0.48) NR1D1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3748609 0.81 KMT2A (0.48) RAB9AKMT2AALDH1A1MAPTLMNA
SCHEMBL3748639 0.78 NR1D1 (0.43) NR1D1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL7805964 0.70 ALDH1A1 (0.46) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL7804195 0.70 ALDH1A1 (0.44) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL19128692 0.70 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119
SCHEMBL447502 0.69 RBP4 (0.50) NR1D1ALDH1A1MAPTLMNAGPR119
SCHEMBL19690228 0.69 PDE4B (0.48) NR1D1ALDH1A1MAPTLMNA
SCHEMBL446527 0.69 RBP4 (0.50) NR1D1ALDH1A1MAPTLMNAGPR119

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-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
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 NR1D1 249/4885RAB9A 1154/4885DYRK2 1107/4885

“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.