SCHEMBL6069460

SCHEMBL6069460

COC(=O)C(N)Cc1cn(Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
TRHDE Q9UKU6 1/20 0.46
CPB2 Q96IY4 3/20 0.44
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TRHR P34981 1/20 0.41
LTA4H P09960 2/20 0.40
SIRT2 Q8IXJ6 3/20 0.40
KLKB1 P03952 1/20 0.40
CPB1 P15086 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6527840 1.00 CDK5 (0.47) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL5997862 0.99 CDK5 (0.46) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL6527838 0.99 CDK5 (0.46) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL7356305 0.99 CDK5 (0.46) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL6527843 0.99 CDK5 (0.46) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL6529050 0.88 FNTA (0.40) CDK5CDK5R1TRHDECPB2CPB1
SCHEMBL8345790 0.88 CPB2 (0.43) CPB2LTA4HSIRT2CPB1
Hydrochloric Acid SCHEMBL6531456 0.88 SMN1; SMN2 (0.41) CDK5CDK5R1TRHDEKDM4CSIRT2
SCHEMBL9871633 0.88 CPB2 (0.44) CDK5CDK5R1TRHDECPB2KDM5A
Hydrochloric Acid SCHEMBL6530027 0.87 CDK5 (0.49) CDK5CDK5R1TRHDECPB1

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
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
US-7087759-B2 for controlling weight; pyrrolidine or piperidine compounds THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
US-20040224985-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2004-11-11 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-20040224985-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CDK5 2163/4885CDK5R1 1117/4885TRHDE 1779/4885

“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.