SCHEMBL7818979

SCHEMBL7818979

CC(C)(C)c1nccc2c3c(ccc12)OCC3

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.33
HTR2C P28335 11/20 0.33
HTR2B P41595 5/20 0.33
DRD1 P21728 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
PKM P14618 1/20 0.32
SLC9A1 P19634 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
SCHEMBL7820475 0.80 ADRA2A (0.37)
SCHEMBL8277403 0.80 DRD1 (0.39) DRD1PKMSLC9A1
SCHEMBL1536445 0.76 LMNA (0.41) DRD1SLC9A1
SCHEMBL7822600 0.76 ATM (0.35)
SCHEMBL8272973 0.76 HTR2A (0.35) HTR2AHTR2CHTR2BDRD1DRD2
SCHEMBL8276151 0.76 PDE3B (0.38) HTR2AHTR2CHTR2BDRD1DRD2
SCHEMBL8271685 0.76 DRD1 (0.39) HTR2AHTR2CHTR2BDRD1SLC9A1
SCHEMBL7815012 0.74 BAD (0.40) PKM
SCHEMBL13409369 0.72 DRD1 (0.37) HTR2AHTR2CHTR2BDRD1
SCHEMBL17190972 0.66 DRD1 (0.46) HTR2ADRD1DRD2DRD3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 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 (3 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HTR2A 4525/4885HTR2C 4062/4885HTR2B 3941/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ HTR2A 2599/4885HTR2C 2853/4885HTR2B 3024/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP HTR2A 4525/4885HTR2C 4062/4885HTR2B 3941/4885

“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.