SCHEMBL18743294

SCHEMBL18743294

Cc1ccc2c(c1)C[C@@H](C)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
HTR5A P47898 1/20 0.41
EPHX2 P34913 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
SIRT1 Q96EB6 1/20 0.38
PKM P14618 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
ROS1 P08922 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
CA12 O43570 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
SCHEMBL434007 1.00 ACHE (0.49) ACHEBRD4CREBBPHTR5AEPHX2
SCHEMBL14550603 0.81 BRD4 (0.51) BRD4PDE3BPDE3APKMPOLB
SCHEMBL7428693 0.81 BRD4 (0.51) BRD4PDE3BPDE3APKMPOLB
SCHEMBL14721601 0.81 CA9 (0.40) ACHEBRD4CREBBPPDE3BPDE3A
SCHEMBL7866698 0.81 AHR (0.53) HTR5A
SCHEMBL4064714 0.81 AADAT (0.48) ACHEBRD4CREBBPHTR5AEPHX2
SCHEMBL21499277 0.79 CDK5 (0.36) ACHEBRD4POLBCDK5ALDH1A1
SCHEMBL24427780 0.79 PDE3B (0.40) ACHEBRD4CREBBPHTR5AEPHX2
SCHEMBL20870384 0.79 PARP1 (0.40) BRD4CREBBPPDE3BPDE3APKM
SCHEMBL26443812 0.79 KIF11 (0.42) ACHEBRD4CREBBPPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO 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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 ACHE 4321/4885BRD4 2700/4885CREBBP 318/4885

“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.