SCHEMBL3748783

SCHEMBL3748783

CN(C)C1CCN(c2nc3ccc(N)cc3s2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
MAPT P10636 5/20 0.56
GAA P10253 2/20 0.56
MAP4K4 O95819 1/20 0.46
TP53 P04637 3/20 0.45
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KEAP1 Q14145 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
AR P10275 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL21638205 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL13054079 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL23965745 0.84 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL13054076 0.83 RAB9A (0.64) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL18344188 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL23965806 0.82 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21638195 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21638197 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21638268 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL21588478 0.79 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MAPTGAA

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
EP-3604301-A1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM Corporation (JP) 2020-02-05 EP 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
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 NPC1 689/4885RAB9A 1154/4885SMN1; 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.