SCHEMBL4066155

SCHEMBL4066155

Cc1cccc([C@H](C)O)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
CYP3A4 P08684 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL6239179 0.82 TSHR (0.46) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL231827 0.81 ESR1 (0.52) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL3073519 0.81 ESR1 (0.52) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL342736 0.81 ESR1 (0.52) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL28449368 0.80 GABRA1 (0.39) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL10830972 0.78 P2RX7 (0.39) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL2011051 0.77 TRPA1 (0.46) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL30271545 0.77 TRPA1 (0.46) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL13263921 0.77 TRPA1 (0.46) CYP1A2TSHRGABRA1GABRG2GABRB3
SCHEMBL2730669 0.77 CES2 (0.37) CYP1A2TSHRGABRA1GABRG2GABRB3

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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A CYP1A2 46/4885TSHR 226/4885GABRA1 426/4885

“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.