SCHEMBL23303045

SCHEMBL23303045

O=C(OCc1ccccc1)N1CCN(CCOc2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.60
HRH1 P35367 2/20 0.60
HTT P42858 1/20 0.58
LTA4H P09960 2/20 0.58
KCNA5 P22460 5/20 0.56
DRD3 P35462 3/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
OPRM1 P35372 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.51
GPR183 P32249 1/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL13150056 0.92 KCNA5 (0.64) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL29942689 0.88 KDM4E (0.61) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL23301392 0.88 KDM4E (0.61) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL34465709 0.86 LTA4H (0.50) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL15623551 0.85 HRH2 (0.61) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL23301362 0.84 POLB (0.59) HTTLTA4HALDH1A1HTR7KDM4E
SCHEMBL14375138 0.84 HRH2 (0.61) HRH2HRH1HTTLTA4HKCNA5
SCHEMBL1704512 0.82 ALDH1A1 (0.66) HTTALDH1A1RAB9AGPR183NPC1
SCHEMBL21405064 0.81 ENPP2 (0.46) HTTLTA4HDRD3ALDH1A1PKM
SCHEMBL29838280 0.81 ENPP2 (0.46) HTTLTA4HDRD3ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS C4 THERAPEUTICS, INC. 2023-01-05 US disclosed
EP-4054724-A1 BIFUNCTIONAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-09-14 EP disclosed
CN-114599428-A Bifunctional compounds 豪夫迈·罗氏有限公司 2022-06-07 CN disclosed
WO-2021086785-A1 BIFUNCTIONAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 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-20230002367-A1 BIFUNCTIONAL COMPOUNDS ITCH, EGFR, MUC1 HRH2 1261/4885HRH1 1483/4885HTT 491/4885

“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.