SCHEMBL14719005

SCHEMBL14719005

Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)NCC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
HTR6 P50406 3/20 0.43
GRIN2B Q13224 2/20 0.43
BCHE P06276 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL12479978 0.72 HTR6 (0.76) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL1445521 0.71 MCHR1 (0.49) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL14719655 0.69
SCHEMBL2511055 0.68 MCHR1 (0.49) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL13833902 0.67 MCHR1 (0.50) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL13654370 0.67 HRH1 (0.63) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL12820280 0.65 HRH1 (0.66) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL168940 0.65 HRH1 (0.68) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL13293762 0.64 HRH1 (0.72) HRH1HTR6GRIN2BBCHEADRA2A
SCHEMBL17230323 0.63 ALDH1A1 (0.66) HRH1HTR6GRIN2BBCHEADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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 (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-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C HRH1 188/4885HTR6 85/4885GRIN2B 357/4885

“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.