SCHEMBL6183839

SCHEMBL6183839

CC(C)c1cccc(C(C)(C)O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
CA2 P00918 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 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
SCHEMBL1274733 0.84 GABRA1 (0.41) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
SCHEMBL5226719 0.81 CA2 (0.44) CYP3A4ALDH1A1CYP2C19GABRA1GABRB2
SCHEMBL9689320 0.80 GABRA1 (0.41) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
SCHEMBL17972911 0.80 CYP3A4 (0.37) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
SCHEMBL3369244 0.79 CYP3A4 (0.61) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
SCHEMBL9861638 0.78 P2RX7 (0.49) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
Hydrogen Peroxide SCHEMBL8837965 0.78 CYP3A4 (0.59) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
SCHEMBL104314 0.76 GABRA1 (0.55) CYP3A4ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL3536893 0.74 CYP3A4 (0.47) CYP3A4ALDH1A1CYP2C19GABRA1GABRG2
Hydrochloric Acid SCHEMBL8615487 0.74 GABRA1 (0.52) CYP3A4ALDH1A1GABRA1GABRG2GABRB3

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
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR CYP3A4 1143/4885ALDH1A1 3777/4885CYP2C19 335/4885

“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.