SCHEMBL3749099

SCHEMBL3749099

CN1CCC(N(C)c2nc3ccc(N)cc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 2/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KEAP1 Q14145 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
NMT1 P30419 1/20 0.38

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
SCHEMBL3750056 0.93 EBP (0.45) CXCR3SMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL3760870 0.92 EBP (0.45) CXCR3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3746702 0.86 SIGMAR1 (0.42) CXCR3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19326027 0.86 SMN1; SMN2 (0.49) CXCR3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5244816 0.82 EBP (0.58) CXCR3SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3756208 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AGAA
Hydrochloric Acid SCHEMBL3753824 0.78 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL31703846 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL30123601 0.75 HTT (0.65) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL18344195 0.75 CXCR3 (0.41) CXCR3SMN1; SMN2MAPTNPC1RAB9A

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 7 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
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 CXCR3 486/4885SMN1; SMN2 2294/4885MAPT 1507/4885

“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.