SCHEMBL30824497

SCHEMBL30824497

c1ccc2cc(CN3CCCC3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAOA P21397 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR3A P46098 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHKA P35790 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
LTA4H P09960 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL27318711 1.00 HRH3 (0.47) HRH3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12531314 0.98 HRH3 (0.49) HRH3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13940645 0.88 CHKA (0.45) HRH3ALDH1A1KDM4EATML3MBTL1
SCHEMBL27110665 0.81 KDM4E (0.46) HRH3ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL30218433 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1KDM4C
SCHEMBL21043977 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1KDM4C
SCHEMBL27318757 0.79 ALDH1A1 (0.43) HRH3ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL15726764 0.78 KDM4C (0.43) HRH3ATML3MBTL1HTR3ACHRNB2
SCHEMBL27319266 0.75 HRH3 (0.44) HRH3ALDH1A1KDM4EATMHTT
SCHEMBL30824512 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAOA

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-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 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-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 HRH3 4094/4885ALDH1A1 3122/4885KDM4E 376/4885

“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.