SCHEMBL3751239

SCHEMBL3751239

CC(C)N1CCC(CN(C)c2nc3ccc(N)cc3s2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 10/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
GAA P10253 4/20 0.37
KEAP1 Q14145 1/20 0.36
KDM4E B2RXH2 3/20 0.34
GLA P06280 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 4/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
TP53 P04637 2/20 0.32

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
SCHEMBL3756208 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AGAA
Hydrochloric Acid SCHEMBL3753824 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL3750553 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL3754820 0.82 RAB9A (0.39) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL21638265 0.78 MAPT (0.46) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL3749077 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL13054184 0.75 POLB (0.46) SMN1; SMN2MAPTKDM4ETSHRALDH1A1
SCHEMBL4643018 0.73 MAPT (0.39) MAPTNPC1RAB9AKMT2ATP53
SCHEMBL3746702 0.72 SIGMAR1 (0.42) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL3750056 0.71 EBP (0.45) SMN1; SMN2MAPTNPC1RAB9AGAA

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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
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

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 SMN1; SMN2 2294/4885MAPT 1507/4885NPC1 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.