SCHEMBL1413286

SCHEMBL1413286

CC(C)[Si](C(C)C)(C(C)C)n1cc(N2CCCCC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
NCF1 P14598 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.37
KEAP1 Q14145 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PRKDC P78527 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL1413404 0.87 HTR6 (0.50) HTR6NCF1CYP3A4CYP2D6
SCHEMBL1413301 0.86 NCF1 (0.44) NCF1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL11786609 0.74 HTR6 (0.54) HTR6NCF1HPGDSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL11844003 0.73 HTR6 (0.52) HTR6NCF1HPGDSMN1; SMN2L3MBTL1
SCHEMBL424495 0.73 SLC6A2 (0.45) HTR6HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL15024911 0.72 SMN1; SMN2 (0.33) HPGDSMN1; SMN2KDM4EMAPK1KMT2A
SCHEMBL1077030 0.71 GPR3 (0.33) HTR6HPGDSMN1; SMN2MAPK1MEN1
SCHEMBL29830999 0.71 GPR3 (0.33) HTR6HPGDSMN1; SMN2MAPK1MEN1
SCHEMBL23536600 0.69 HTR6 (0.51) HTR6HPGDSMN1; SMN2KDM4EL3MBTL1
SCHEMBL4306537 0.69 HTR6 (0.50) HTR6CYP3A4CYP2D6MAPK1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 HTR6 172/4885NCF1 672/4885HPGD 2824/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885NCF1 672/4885HPGD 2866/4885

“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.