SCHEMBL2969790

SCHEMBL2969790

COC(=O)c1cnc(N2CCc3c([nH]c4ccccc34)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.50
KDM4E B2RXH2 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FAAH O00519 1/20 0.48
CDK4 P11802 5/20 0.48
CCND1 P24385 5/20 0.48
GPX4 P36969 1/20 0.47
GBA1 P04062 1/20 0.46

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
SCHEMBL2981465 0.89 NPC1 (0.54) TRPV1KDM4EHDAC1HDAC6FAAH
SCHEMBL2972615 0.86 GBA1 (0.53) TRPV1KDM4EHDAC1HDAC6FAAH
SCHEMBL2970402 0.86 BAZ2B (0.47) TRPV1KDM4EHDAC1HDAC6CDK4
SCHEMBL2970539 0.86 HDAC6 (0.62) TRPV1KDM4EHDAC1HDAC6FAAH
SCHEMBL2981880 0.85 BAZ2B (0.48) TRPV1KDM4EHDAC1HDAC6
SCHEMBL8260682 0.79 HDAC6 (0.57) HDAC1HDAC6
SCHEMBL2978281 0.79 CDK4 (0.42) TRPV1FAAHCDK4CCND1GBA1
SCHEMBL2977779 0.78 BAZ2B (0.55) KDM4EHDAC1HDAC6
SCHEMBL2972415 0.77 KMT2A (0.40) KDM4E
SCHEMBL2969834 0.77 HTR5A (0.44) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TRPV1 4254/4885KDM4E 691/4885HDAC1 1/4885

“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.