SCHEMBL23922965

SCHEMBL23922965

CC(=O)OC1c2ncccc2CCC1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
FNTA P49354 5/20 0.35
FNTB P49356 5/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
P2RX7 Q99572 2/20 0.33
CHRM4 P08173 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
ADORA2A P29274 1/20 0.33
OPRL1 P41146 3/20 0.32
KCNH2 Q12809 3/20 0.32

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
SCHEMBL14885001 1.00 POLB (0.36) POLBFNTAFNTBHDAC1HDAC6
SCHEMBL10286051 0.84 POLB (0.36) POLBFNTAFNTBHDAC1HDAC6
SCHEMBL2147611 0.81 CHRM4 (0.41) FNTAFNTBHDAC1HDAC6TRPV1
SCHEMBL829076 0.76 POLB (0.40) POLB
SCHEMBL10286472 0.76 HDAC1 (0.44) FNTAFNTBHDAC1HDAC6P2RX7
SCHEMBL3312248 0.76 HDAC1 (0.44) FNTAFNTBHDAC1HDAC6P2RX7
SCHEMBL10286029 0.76 POLB (0.42) POLBP2RX7
SCHEMBL4713765 0.75 HDAC1 (0.43) FNTAFNTBHDAC1HDAC6P2RX7
SCHEMBL828603 0.75 TBXAS1 (0.47) POLBTRPV1P2RX7
SCHEMBL11983384 0.72 FNTA (0.40) FNTAFNTBHDAC1HDAC6TRPV1

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-12091410-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-17 US disclosed
EP-3896060-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-08-16 EP disclosed
US-20220017514-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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 (2 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-12091410-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 POLB 4654/4885FNTA 4519/4885FNTB 4285/4885
US-20220017514-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 POLB 4654/4885FNTA 4519/4885FNTB 4285/4885

“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.