SCHEMBL30735623

SCHEMBL30735623

NC(=O)c1cc(C2CCNCC2)c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
HTR2C P28335 4/20 0.42
ADRB2 P07550 1/20 0.42
SLC6A4 P31645 1/20 0.41
KDM1A O60341 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
P2RY14 Q15391 1/20 0.40
PARP1 P09874 1/20 0.40
HTR6 P50406 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL19297230 1.00 IKBKB (0.49) IKBKBCHUKHTR2CADRB2SLC6A4
SCHEMBL30735595 0.85 IKBKB (0.46) IKBKBCHUKHTR2CSLC6A4JAK2
SCHEMBL19284588 0.85 IKBKB (0.46) IKBKBCHUKHTR2CSLC6A4JAK2
Hydrochloric Acid SCHEMBL19284589 0.84 IKBKB (0.45) IKBKBCHUKHTR2CSLC6A4JAK2
SCHEMBL30735531 0.77 HTR1D (0.45) IKBKBCHUKHTR2CSLC6A4JAK2
SCHEMBL19297195 0.77 HTR1D (0.45) IKBKBCHUKHTR2CSLC6A4JAK2
SCHEMBL3662883 0.75 KDM1A (0.45) IKBKBCHUKSLC6A4KDM1A
SCHEMBL3662886 0.74 SLC6A4 (0.41) SLC6A4
SCHEMBL5321644 0.72 JAK2 (0.47) IKBKBCHUKHTR2CSLC6A4JAK2
SCHEMBL5324229 0.72 HTR2C (0.50) IKBKBCHUKHTR2CSLC6A4JAK2

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 604/4885HTR2C 3255/4885

“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.