SCHEMBL3748460

SCHEMBL3748460

CN(C)CCCN(C)c1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
DAGLA Q9Y4D2 1/20 0.42
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
PTGS1 P23219 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
SCHEMBL2074416 0.93 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3746058 0.90 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3759165 0.81 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13054198 0.78 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27697788 0.74 MEN1 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3756932 0.74 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2060733 0.71 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL31430630 0.71 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2073967 0.71 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8139921 0.71 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 6 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

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 689/4885SMN1; SMN2 2294/4885

“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.