SCHEMBL30850824

SCHEMBL30850824

CCCCOC(=O)N1CCCCc2ccc(CCCc3cc[nH]n3)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
ITGAV P06756 4/20 0.34
FGFR4 P22455 4/20 0.34
ITGB3 P05106 2/20 0.34
ITGB6 P18564 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
TP53 P04637 3/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BCHE P06276 1/20 0.32
LMNA P02545 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL21294599 0.85 MPO (0.40) ITGAVFGFR4ITGB3ITGB6NPC1
SCHEMBL30850839 0.85 FGFR4 (0.36) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL23527757 0.84 ITGAV (0.34) ITGAVFGFR4ITGB3ITGB6
SCHEMBL12807163 0.76 MPO (0.38) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL24908851 0.74 MPO (0.39) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL1840941 0.73 MPO (0.39) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL29860313 0.69 MPO (0.37) ITGAVFGFR4ITGB6NPC1RAB9A
SCHEMBL21294607 0.68 ITGAV (0.37) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL29860678 0.68 ITGAV (0.37) AVPR2OXTRAVPR1AITGAVFGFR4
SCHEMBL17921404 0.67 HPGD (0.37) ITGAVFGFR4ITGB6TP53SMN1; SMN2

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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV AVPR2 776/4885OXTR 2315/4885AVPR1A 608/4885

“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.