SCHEMBL20345541

SCHEMBL20345541

COC1CC2(C1)CN(c1ccc(C#N)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HRH3 Q9Y5N1 6/20 0.40
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
KCNH2 Q12809 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
POLB P06746 1/20 0.38
ITGAL P20701 1/20 0.36
HTR7 P34969 2/20 0.36
USP14 P54578 1/20 0.35
ELANE P08246 1/20 0.35
CHEK1 O14757 1/20 0.35
GRM2 Q14416 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL18357703 0.81 KDM4E (0.42) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL18357674 0.80 TP53 (0.49) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL18357797 0.78 KDM4E (0.52) KDM4ETP53HRH3HTR7
SCHEMBL20346944 0.76 KDM4E (0.53) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL20345540 0.76 DPP4 (0.33) HRH3
SCHEMBL20345548 0.75 HRH3 (0.40) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL18357770 0.75 EPHX2 (0.46) KDM4ETP53HRH3
SCHEMBL20345543 0.73 KDM1A (0.40) KDM4ETP53KCNH2ITGAL
SCHEMBL18357436 0.72 TP53 (0.47) KDM4ETP53HRH3CHRNA10CHRNA9
SCHEMBL22919201 0.71 TSHR (0.64) KDM4ETP53CHRNA10CHRNA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US 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-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KDM4E 3387/4885TP53 3030/4885HRH3 3449/4885

“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.