SCHEMBL1413404

SCHEMBL1413404

CC(C)[Si](C(C)C)(C(C)C)n1cc(N2CCN(C)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
NCF1 P14598 1/20 0.42
ADRA2C P18825 1/20 0.41
PRKCB P05771 3/20 0.40
GSK3B P49841 2/20 0.40
PRKCA P17252 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKCG P05129 1/20 0.40
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
DRD3 P35462 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
SCHEMBL1413286 0.87 HTR6 (0.47) HTR6CYP3A4CYP2D6NCF1
SCHEMBL1413301 0.84 NCF1 (0.44) NCF1PRKCBGSK3BPRKCAPRKCE
SCHEMBL4306537 0.82 HTR6 (0.50) HTR6CYP3A4CYP2D6ADRA2CDRD2
SCHEMBL3584996 0.77 HTR6 (0.58) HTR6CYP3A4CYP2D6NCF1ADRA2C
SCHEMBL7019936 0.75 HTR6 (0.41) HTR6DRD2HTR2A
SCHEMBL424495 0.72 SLC6A2 (0.45) HTR6TSHR
SCHEMBL15024911 0.71 SMN1; SMN2 (0.33) TSHR
SCHEMBL1077030 0.70 GPR3 (0.33) HTR6TSHRHTT
SCHEMBL29830999 0.70 GPR3 (0.33) HTR6TSHRHTT
SCHEMBL5698351 0.67 HTR6 (0.56) HTR6NCF1DRD2HTR1AHTR3E

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 172/4885CYP3A4 3004/4885CYP2D6 2937/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885CYP3A4 2883/4885CYP2D6 2766/4885

“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.