SCHEMBL3954804

SCHEMBL3954804

CNC(=O)c1ccc(-c2ccc(OC(C)C)c(C(=O)NC(C)(Cc3c[nH]c4ccccc34)C(=O)OC)c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
NMBR P28336 1/20 0.41
TACR1 P25103 9/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TACR3 P29371 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CASP6 P55212 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCKBR P32239 1/20 0.37
NR3C1 P04150 2/20 0.37

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
SCHEMBL13904511 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALNMBRTACR1
SCHEMBL4058929 0.87 TACR1 (0.50) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL3945894 0.87 ITGB2 (0.42) ITGB2ICAM1ITGALNMBRTACR1
SCHEMBL3948576 0.81 ITGB2 (0.43) ITGB2ICAM1ITGALTACR1MEN1
SCHEMBL4055562 0.80 TACR1 (0.46) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL14007421 0.80 ITGB2 (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL13905422 0.79 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL4062789 0.78 TACR1 (0.44) NMBRTACR1MEN1KMT2ATACR3
SCHEMBL13904514 0.76 KMT2A (0.47) TACR1MEN1KMT2AMAPTLMNA
SCHEMBL4216399 0.76 TACR1 (0.42) TACR1MEN1KMT2ATACR3

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.