SCHEMBL3945894

SCHEMBL3945894

CNC(=O)c1cc(F)cc(-c2ccc(OC(C)C)c(C(=O)NC(C)(Cc3c[nH]c4ccccc34)C(=O)OC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
NMBR P28336 1/20 0.41
TACR1 P25103 10/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TACR3 P29371 1/20 0.38
GPR84 Q9NQS5 3/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL13904510 0.89 ITGB2 (0.43) ITGB2ICAM1ITGALNMBRTACR1
SCHEMBL3954804 0.87 ITGB2 (0.42) ITGB2ICAM1ITGALNMBRTACR1
SCHEMBL4058929 0.87 TACR1 (0.50) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL3949175 0.83 ITGB2 (0.45) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL13944279 0.81 ITGB2 (0.48) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4055562 0.80 TACR1 (0.46) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL13905374 0.79 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4062789 0.77 TACR1 (0.44) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL13904511 0.76 ITGB2 (0.42) ITGB2ICAM1ITGALNMBRTACR1
SCHEMBL13904514 0.76 KMT2A (0.47) TACR1MEN1KMT2ACDK4CCND1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO claimed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP claimed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 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 (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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ITGB2 3073/4885ICAM1 3019/4885ITGAL 2858/4885

“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.