SCHEMBL3947792

SCHEMBL3947792

CC(C)Oc1ccc(C#Cc2ccccc2)cc1C(=O)NC(C)(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.43
MMP2 P08253 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TACR1 P25103 7/20 0.41
CYP2D6 P10635 3/20 0.40
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR3 P29371 1/20 0.39
ACE P12821 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
SCHEMBL13904509 1.00 MMP9 (0.43) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL4216399 0.94 TACR1 (0.42) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL3953038 0.91 TACR1 (0.41) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL13904515 0.91 TACR1 (0.41) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL4145234 0.88 TACR1 (0.42) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL4055562 0.88 TACR1 (0.46) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL13904514 0.85 KMT2A (0.47) MEN1KMT2ATACR1CYP2D6KDM4E
SCHEMBL3948537 0.84 CYP2D6 (0.41) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL13904630 0.84 CYP2D6 (0.41) MMP9MMP2MEN1KMT2ATACR1
SCHEMBL3947924 0.84 MMP2 (0.43) MMP9MMP2MEN1KMT2ATACR1

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 MMP9 4077/4885MMP2 3861/4885MEN1 260/4885

“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.