SCHEMBL4819502

SCHEMBL4819502

CC(CNc1ccnc2ccc(N)cc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.44
▸ ADRA1D P25100 5/20 0.44
▸ ADRA1A P35348 5/20 0.44
▸ ADRA1B P35368 5/20 0.44
▸ CCNC P24863 6/20 0.43
▸ CDK8 P49336 6/20 0.43
▸ EGFR P00533 2/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ FERMT2 Q96AC1 1/20 0.41
▸ NQO2 P16083 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL7501979 0.84 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BAOC3
SCHEMBL25395841 0.83 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL25395839 0.83 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL6598616 0.78 EGFR (0.63) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL21750424 0.75 CCNC (0.72) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL28216759 0.73 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7622000 0.72 CA9 (0.46) EGFRPOLBGAAMAPTKMT2A
SCHEMBL4823156 0.72 EGFR (0.43) HTR1AADRA1DADRA1AADRA1BCCNC
SCHEMBL7501982 0.71 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7509055 0.71 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 — — US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 — — US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G HTR1A 400/4885ADRA1D 240/4885ADRA1A 257/4885

“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.

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