SCHEMBL3756113

SCHEMBL3756113

CN1CCC(C2(N)Nc3ccc(N)cc3S2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APEX1 P27695 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL31154123 0.70 HTR1D (0.41) HTR1DHTR1BKDM4EGAAKMT2A
SCHEMBL3754208 0.67 MEN1 (0.44) KDM4EGAAKMT2ATDP1MEN1
SCHEMBL31219272 0.61 KDM4E (0.41) KDM4EGAAKMT2ATDP1MEN1
SCHEMBL28769411 0.59 KDM4E (0.33) KDM4EGAAKMT2ATDP1MEN1
SCHEMBL2938112 0.58 MAPK1 (0.40) KDM4EL3MBTL1
SCHEMBL14875854 0.58 HTR1D (0.48) HTR1DHTR1BKDM4EMAPTDRD1
SCHEMBL90798 0.57 KMT2A (0.39) KMT2A
SCHEMBL14588871 0.57 KMT2A (0.39) KMT2A
SCHEMBL2675756 0.57 HTR1D (0.41) HTR1DHTR1BKDM4EGAAKMT2A
SCHEMBL13554974 0.57 POLB (0.57) KDM4EGAAKMT2AMAPT

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 HTR1D 59/4885HTR1B 84/4885KDM4E 2042/4885

“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.