SCHEMBL30735531

SCHEMBL30735531

NC(=O)c1ccc2cccc(C3CCNCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
PARP1 P09874 4/20 0.41
SLC6A4 P31645 2/20 0.40
HTR2C P28335 3/20 0.40
HTR6 P50406 3/20 0.40
PTPN1 P18031 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHEK2 O96017 1/20 0.38

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
SCHEMBL19297195 1.00 HTR1D (0.45) HTR1DHTR1BJAK2JAK1TYK2
SCHEMBL30735595 0.89 IKBKB (0.46) HTR1DHTR1BJAK2JAK1TYK2
SCHEMBL19284588 0.89 IKBKB (0.46) HTR1DHTR1BJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL19284589 0.88 IKBKB (0.45) HTR1DHTR1BJAK2JAK1TYK2
SCHEMBL7918213 0.77 PLA2G2D (0.50) PTPN1
SCHEMBL30735623 0.77 IKBKB (0.49) HTR1DHTR1BJAK2JAK1TYK2
SCHEMBL19297230 0.77 IKBKB (0.49) HTR1DHTR1BJAK2JAK1TYK2
SCHEMBL22648495 0.76 JAK2 (0.45) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL7919828 0.76 SLC9A1 (0.52) KCNH2
SCHEMBL4781939 0.76 HTR1D (0.64) HTR1DHTR1BIKBKBCHUKHTR2C

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-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 SRX CARDIO, LLC (US) 2024-02-06 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-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 PCSK9, PCSK6, PCSK7 HTR1D 3769/4885HTR1B 2040/4885JAK2 4107/4885

“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.