SCHEMBL27096402

SCHEMBL27096402

Cn1nccc1C1=CC(=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
ACVR1 Q04771 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34
BRD4 O60885 1/20 0.33
BRD3 Q15059 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL29277604 0.90 COMT (0.41) COMTACVR1PDE3BPDE3APDE10A
SCHEMBL15465534 0.72 COMT (0.41) COMTMAPTALDH1A1HDAC4KCNH2
SCHEMBL24373936 0.69 DRD2 (0.42) MAPTALDH1A1KMT2APLK1CSNK2A1
SCHEMBL15950989 0.69 COMT (0.60) COMTPDE10AMAPTALDH1A1KCNH2
SCHEMBL678929 0.68 BRD4 (0.40) ACVR1MAPTALDH1A1BRD4PLK1
SCHEMBL11279823 0.67 MAPK14 (0.41) MAPTALDH1A1CYP11B2
SCHEMBL24260966 0.67 COMT (0.42) COMTPDE3BPDE3AMAPTALDH1A1
SCHEMBL14938054 0.67 CYP1A2 (0.45) COMTBRD4BRD3KCNH2HRH3
SCHEMBL10730095 0.64 PLK1 (0.41) ALDH1A1PLK1CSNK2A1PLK3
SCHEMBL14800483 0.64 POLB (0.35) ALDH1A1KMT2APLK1CSNK2A1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 EP disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC COMT 4016/4885ACVR1 1834/4885PDE3B 3070/4885

“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.