SCHEMBL3754197

SCHEMBL3754197

CN1CCCC(N(C)c2nc3cc([N+](=O)[O-])ccc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
USP30 Q70CQ3 1/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.39
MCL1 Q07820 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 3/20 0.39
ATM Q13315 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL2072749 0.87 MAPT (0.51) RAB9AUSP30MMP2MMP9MMP8
SCHEMBL3744427 0.82 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3756932 0.82 RAB9A (0.46) RAB9AUSP30MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL3748830 0.81 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5243748 0.79 CXCR3 (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL3741896 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3759165 0.74 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13054173 0.72 MCHR1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3754634 0.72 RAB9A (0.48) RAB9AUSP30MMP2MMP9MMP8
SCHEMBL13054087 0.72 RAB9A (0.48) RAB9AUSP30MMP2MMP9MMP8

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 9 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
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN 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 RAB9A 1154/4885USP30 1653/4885MMP2 3995/4885

“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.