SCHEMBL31696984

SCHEMBL31696984

COc1ccc(C(=O)N2CC3(CCNCC3)C2)cc1N1C=CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ GABRD O14764 3/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ GABRB1 P18505 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ GABRA2 P47869 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30612348 0.86 PKM (0.46) HPGDHSD17B10L3MBTL1TLR9TLR8
SCHEMBL29721053 0.80 LMNA (0.42) HPGDHSD17B10L3MBTL1TLR9TLR8
SCHEMBL30816887 0.79 FFAR4 (0.39) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL29530566 0.77 HSD11B1 (0.48) KDM1AGABRDGABRA1GABRB1GABRA5
SCHEMBL21409353 0.77 NR3C1 (0.41) KDM1AGABRDGABRA1GABRB1GABRA5
SCHEMBL29384321 0.77 KMT2A (0.42) HPGDHSD17B10L3MBTL1DRD2TLR9
SCHEMBL30019792 0.76 RBP4 (0.41) HPGDHSD17B10L3MBTL1TLR8TLR7
Hydrochloric Acid SCHEMBL31138071 0.76 NR3C1 (0.41) KDM1AGABRDGABRA1GABRB1GABRA5
SCHEMBL30267336 0.75 LRRK2 (0.41) HPGDHSD17B10L3MBTL1LRRK2
SCHEMBL30266965 0.75 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3

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-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors NOVARTIS AG (CH) 2025-10-14 — — 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-12441733-B2 Substituted 2,4-dioxotetrahydropyrimidines as intermediates in the synthesis of bruton's tyrosine kinase inhibitors BTK, ABL1, LYN KDM1A 731/4885GABRD 2412/4885GABRA1 3036/4885

“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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