SCHEMBL3748094

SCHEMBL3748094

CN(C)C1CCN(c2nc3ccc(NC(=O)C=Cc4cccc(F)c4)cc3s2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
IMPDH2 P12268 1/20 0.42
MAOB P27338 1/20 0.42
MCHR1 Q99705 3/20 0.41
CCR2 P41597 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL3748092 1.00 MAPT (0.45) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL13054107 1.00 MAPT (0.45) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL13054090 0.91 MAPT (0.46) MAPTNPC1RAB9ALMNAMCHR1
SCHEMBL13054106 0.91 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL3750062 0.91 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL3750065 0.91 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL3754240 0.91 MAPT (0.56) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL13054093 0.91 MAPT (0.56) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL3754242 0.91 MAPT (0.56) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL3744471 0.90 MAPT (0.43) MAPTNPC1RAB9ACA12CA9

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 MAPT 1507/4885NPC1 689/4885RAB9A 1154/4885

“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.