SCHEMBL4062789

SCHEMBL4062789

COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)c1cc(C#Cc2ccccc2OC)ccc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP2D6 P10635 3/20 0.39
SLC22A1 O15245 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
TACR3 P29371 1/20 0.38
NMBR P28336 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
SCHEMBL4055562 0.92 TACR1 (0.46) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL3953038 0.89 TACR1 (0.41) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL13904515 0.89 TACR1 (0.41) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL4145234 0.89 TACR1 (0.42) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL4216399 0.87 TACR1 (0.42) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL4058929 0.85 TACR1 (0.50) TACR1KMT2AMEN1CYP2D6TACR3
SCHEMBL4632722 0.84 ITGB2 (0.41) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL14069910 0.83 ITGB2 (0.43) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL4737824 0.83 ITGB2 (0.43) TACR1MMP2MMP9KMT2AMEN1
SCHEMBL4737837 0.83 ITGB2 (0.43) TACR1MMP2MMP9KMT2AMEN1

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 TACR1 167/4885MMP2 3861/4885MMP9 4077/4885

“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.