SCHEMBL4405944

SCHEMBL4405944

CC(C)Cc1nnn(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
MMP9 P14780 3/20 0.39
MMP2 P08253 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CACNA1H O95180 2/20 0.36
CACNA1G O43497 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4407303 0.80 HPGD (0.57) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL512253 0.78 HPGD (0.63) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL4409279 0.77 HPGD (0.54) HPGDABCG2NPC1RAB9AMAPT
SCHEMBL513770 0.77 HPGD (0.57) HPGDABCG2NPC1RAB9AMMP9
SCHEMBL4412042 0.76 HPGD (0.53) HPGDABCG2NPC1RAB9AMMP9
SCHEMBL18270238 0.75 MMP9 (0.54) ABCG2NPC1RAB9AMMP9MMP2
SCHEMBL27738471 0.75 HPGD (0.56) HPGDABCG2NPC1MMP9MMP2
SCHEMBL27738472 0.75 HPGD (0.49) HPGDABCG2NPC1RAB9AMMP9
SCHEMBL4409289 0.75 HPGD (0.55) HPGDABCG2CNR1CNR2TRPV1
SCHEMBL4412019 0.75 HPGD (0.51) HPGDABCG2CNR1CNR2NPC1

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-11319325-B1 Macrocyclic spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-11319325-B1 Macrocyclic spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 HPGD 1112/4885ABCG2 1241/4885CNR1 2468/4885

“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.