SCHEMBL5114861

SCHEMBL5114861

CC(C)(C)OC(=O)N1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.49
HPGDS O60760 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45
CYP2C9 P11712 2/20 0.44
HTR6 P50406 1/20 0.43
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL28603644 0.88 BAZ2B (0.51) PTGDR2HDAC1HDAC6PTGER2PTGDR
SCHEMBL28602906 0.88 HDAC1 (0.54) PTGDR2HPGDSHDAC1HDAC6HTR6
SCHEMBL5107551 0.87 HDAC1 (0.57) PTGDR2HDAC1HDAC6PTGER2PTGDR
SCHEMBL31078485 0.87 HDAC1 (0.57) PTGDR2HDAC1HDAC6PTGER2PTGDR
SCHEMBL5108079 0.84 BAZ2B (0.53) PTGDR2HPGDSHDAC1HDAC6PTGER2
SCHEMBL14015618 0.83 PTGDR2 (0.54) PTGDR2PTGER2PTGDRCYP2C9
SCHEMBL29034621 0.82 PTGDR2 (0.46) PTGDR2CYP2C9
SCHEMBL3090435 0.82 PTGDR2 (0.67) PTGDR2HDAC1HDAC6PTGER2PTGDR
SCHEMBL10773567 0.81 AKR1B10 (0.52) PTGDR2
SCHEMBL10773537 0.80 PTGDR2 (0.50) PTGDR2HDAC1HDAC6

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-7449476-B2 Tetrahydrocarboline antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449476-B2 Tetrahydrocarboline antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-20050267130-A1 Tetrahydrocarboline antiviral agents VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-12-01 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-20050267130-A1 Tetrahydrocarboline antiviral agents CD4, CCR5, HAVCR2 PTGDR2 1693/4885HPGDS 2328/4885HDAC1 1216/4885

“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.