SCHEMBL30735595

SCHEMBL30735595

NC(=O)c1ccc2c(C3CCNCC3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
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
PARP1 P09874 4/20 0.41
P2RY14 Q15391 1/20 0.41
SLC6A4 P31645 1/20 0.40
HTR2C P28335 3/20 0.40
HTR6 P50406 1/20 0.39
CHEK2 O96017 1/20 0.38
ALK Q9UM73 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
SCHEMBL19284588 1.00 IKBKB (0.46) IKBKBCHUKHTR1DHTR1BJAK2
Hydrochloric Acid SCHEMBL19284589 0.99 IKBKB (0.45) IKBKBCHUKHTR1DHTR1BJAK2
SCHEMBL30735531 0.89 HTR1D (0.45) IKBKBCHUKHTR1DHTR1BJAK2
SCHEMBL19297195 0.89 HTR1D (0.45) IKBKBCHUKHTR1DHTR1BJAK2
SCHEMBL30735623 0.85 IKBKB (0.49) IKBKBCHUKHTR1DHTR1BJAK2
SCHEMBL19297230 0.85 IKBKB (0.49) IKBKBCHUKHTR1DHTR1BJAK2
SCHEMBL6812102 0.81 HTR1D (0.50) HTR1DHTR1BSLC6A4
SCHEMBL10148398 0.77 PTPN1 (0.58) P2RY14SLC6A4
SCHEMBL4649182 0.76 SLC9A1 (0.63)
SCHEMBL19284609 0.76 HTR2C (0.53) SLC6A4HTR2CHTR6

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 IKBKB 477/4885CHUK 604/4885HTR1D 3769/4885

“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.