SCHEMBL3754634

SCHEMBL3754634

CN(C)C1CCN(c2nc3cc([N+](=O)[O-])ccc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
WDR5 P61964 1/20 0.46
NPC1 O15118 6/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RHOA P61586 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL13054087 1.00 RAB9A (0.48) RAB9AWDR5NPC1MAPTSMN1; SMN2
SCHEMBL13054085 0.81 MAP4K4 (0.46)
SCHEMBL3749100 0.81 MAP4K4 (0.46)
SCHEMBL25258655 0.79 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2RHOA
SCHEMBL25258653 0.79 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2RHOA
SCHEMBL3356620 0.78 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18344161 0.78 MAPT (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL25598124 0.78 RAB9A (0.57) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2244923 0.77 POLB (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31349377 0.75 RHOA (0.46) RAB9ANPC1MAPTSMN1; SMN2RHOA

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 RAB9A 1154/4885WDR5 363/4885NPC1 689/4885

“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.