SCHEMBL4952292

SCHEMBL4952292

C=CC(Br)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.40
SLC18A2 Q05940 1/20 0.39
ANPEP P15144 1/20 0.39
CYP2D6 P10635 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALPI P09923 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
SCHEMBL233264 0.77 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1061707 0.76 EPHX1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9292429 0.74 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9504968 0.74 EPHX1 (0.41) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5159235 0.74 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8711128 0.74 CA1 (0.51) TSHRMEN1KMT2A
SCHEMBL24931234 0.73 EPHX1 (0.56) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3810368 0.73 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8846364 0.73 TAAR1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1080954 0.73 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 EPHX1 3103/4885TAAR1 313/4885SLC6A2 3842/4885

“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.