SCHEMBL7071920

SCHEMBL7071920

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCc5cc6cc(O)ccc6[nH]5)cc4n3C)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MAOB P27338 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
PDE10A Q9Y233 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7073312 0.83 TRPV1 (0.37) MAPTTRPV1GAAMTNR1AMTNR1B
SCHEMBL7074863 0.83 GAA (0.36) MAPTGAAACSS2PDE10ANPC1
SCHEMBL7072504 0.83 GAA (0.38) GAAACSS2PDE10ANPC1RAB9A
SCHEMBL7073158 0.82 NAMPT (0.39) GAAACSS2
SCHEMBL7073496 0.81 NPC1 (0.46) TPSAB1TPSD1TPSG1ACSS2NPC1
SCHEMBL7072326 0.80 TPSAB1 (0.41) MAPTTPSAB1TPSD1TPSG1NPC1
SCHEMBL7075741 0.80 TGM2 (0.38) MAPTGAAMTNR1ANPC1RAB9A
SCHEMBL7075212 0.80 NPC1 (0.43) MAPTTPSAB1TPSD1TPSG1NPC1
SCHEMBL7072576 0.80 GAA (0.37) MAPTGAAMTNR1AMTNR1BACSS2
SCHEMBL7072285 0.79 SMN1; SMN2 (0.40) MAPT

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 MAPT 2104/4885MAOB 326/4885TRPV1 823/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAPT 2289/4885MAOB 333/4885TRPV1 954/4885

“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.