SCHEMBL29616683

SCHEMBL29616683

BrCc1cc(Oc2nccc3occc23)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 19/20 0.49
▸ TRPA1 O75762 1/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 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
SCHEMBL15688472 1.00 DRD1 (0.49) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688312 0.89 DRD1 (0.48) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL29616769 0.89 DRD1 (0.48) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL23969546 0.89 DRD1 (0.48) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688349 0.82 DRD1 (0.46) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688482 0.82 DRD1 (0.55) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688267 0.82 DRD1 (0.63) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688322 0.80 DRD1 (0.59) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL15688624 0.79 DRD1 (0.48) DRD1TRPA1ADRB2CHRM2ADRB1
SCHEMBL17224568 0.76 MAOA (0.46) DRD1TRPA1ADRB2CHRM2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343737-A1 Imaging Agents UCB Biopharma SRL (BE) 2024-10-17 — — US disclosed
US-20220162221-A1 Imaging Agents UCB Biopharma SRL (BE) 2022-05-26 — — 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 (2 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-20220162221-A1 Imaging Agents MPI, TMEM14C, NECTIN4 DRD1 2957/4885TRPA1 4091/4885ADRB2 1629/4885
US-20240343737-A1 Imaging Agents MPI, TMEM14C, NECTIN4 DRD1 2957/4885TRPA1 4091/4885ADRB2 1629/4885

“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.

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