SCHEMBL24731817

SCHEMBL24731817

Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
KCNB1 Q14721 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 3/20 0.41

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
SCHEMBL30083263 1.00 CYP1A2 (0.45) CYP1A2CYP2C19CYP2D6ALDH1A1L3MBTL1
SCHEMBL30083121 0.91 KCNB1 (0.49) CYP1A2CYP2C19CYP2D6HTR1DHTR1B
SCHEMBL24731946 0.91 KCNB1 (0.49) CYP1A2CYP2C19CYP2D6HTR1DHTR1B
SCHEMBL24731947 0.91 KCNB1 (0.49) CYP1A2CYP2C19CYP2D6HTR1DHTR1B
SCHEMBL24731387 0.88 HSP90AA1 (0.45) CYP1A2CYP2C19CYP2D6ALDH1A1L3MBTL1
SCHEMBL31218100 0.88 HSP90AA1 (0.45) CYP1A2CYP2C19CYP2D6ALDH1A1L3MBTL1
SCHEMBL31218079 0.88 KCNK3 (0.47) CYP1A2CYP2C19CYP2D6ALDH1A1KCNB1
SCHEMBL24731388 0.88 KCNK3 (0.47) CYP1A2CYP2C19CYP2D6ALDH1A1KCNB1
SCHEMBL31218101 0.87 CYP1A2 (0.44) CYP1A2CYP2C19CYP2D6HTR1DHTR1B
SCHEMBL31218049 0.87 CTSK (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383852-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-11-21 US disclosed
EP-4305022-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-01-17 EP disclosed
CN-117396462-A Antiviral compounds 英菲克斯治疗有限公司 2024-01-12 CN disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 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-20240383852-A1 ANTI-VIRAL COMPOUNDS PREP, DNPEP, PLP2 CYP1A2 4023/4885CYP2C19 3962/4885CYP2D6 3988/4885

“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.