SCHEMBL3500946

SCHEMBL3500946

CCc1cc(C(N)(CN)c2cc(CC)[nH]n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.41
▸ COMT P21964 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 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
SCHEMBL3500224 0.81 MAPT (0.38) HCAR2HPGDTSHR
Hydrochloric Acid SCHEMBL3500648 0.79 MAPT (0.37) HCAR2HPGDTSHR
SCHEMBL1206509 0.78 HPGD (0.56) HCAR2COMTHPGDTSHRCCNA2
Hydrochloric Acid SCHEMBL3501057 0.76 HPGD (0.33) HPGDTSHR
SCHEMBL2581322 0.75 HCAR2 (0.44) HCAR2COMTHPGDTSHRCCNA2
Hydrochloric Acid SCHEMBL3498403 0.74 HPGD (0.65) HCAR2COMTHPGDTSHR
SCHEMBL14037797 0.73 HCAR2 (0.47) HCAR2COMTHPGDTSHRCCNA2
SCHEMBL5086281 0.72 HCAR2 (0.42) HCAR2COMTHPGDTSHRCCNA2
SCHEMBL12930817 0.68 HPGD (0.55) HPGDTSHR
SCHEMBL174227 0.67 — —

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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 — — US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 — — EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 — — 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 HCAR2 700/4885COMT 4011/4885HPGD 1061/4885

“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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