SCHEMBL7069780

SCHEMBL7069780

C(=C/CCC1CCCCC1)\CCc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DAO P14920 2/20 0.31
HTR3A P46098 1/20 0.30

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
SCHEMBL7069782 1.00 CDK1 (0.33) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL7069783 1.00 CDK1 (0.33) CDK1CDK2CCNB1CCNA2CCNA1
Maleic Acid SCHEMBL648967 0.90 HRH4 (0.41) HRH4HRH3LMNAHTTNPSR1
Fumaric Acid SCHEMBL650644 0.90 HRH4 (0.41) HRH4HRH3LMNAHTTNPSR1
SCHEMBL8524329 0.84 HRH4 (0.41) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL9850899 0.81 HRH4 (0.40) HRH4HRH3LMNATSHRHTT
SCHEMBL7625072 0.79 GPR84 (0.42) HRH4HRH3
SCHEMBL7624480 0.79
SCHEMBL7069730 0.79
SCHEMBL7624474 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166060-A 1H-4(5)-substituted imidazole derivatives GLIATECH, INC. (US) 2000-12-26 US claimed
US-20030069295-A1 Use of histamine H3 receptor inverse agonists for the control of appetite and treatment of obesity GLIATECH, INC. 2003-04-10 US disclosed
US-6448282-B1 H3 HISTAMINE RECEPTOR ANTAGONIST ACTIVITY; ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE, DEPRESSION, SCHIZOPHRENIA, NARCOLEPSY, SLEEP APNEA, INSOMNIA, EPILEPSY, HYPOTHALAMIC DYSFUNCTION GLIATECH, INC. 2002-09-10 US disclosed
US-6166060-A 1H-4(5)-substituted imidazole derivatives GLIATECH, INC. (US) 2000-12-26 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-20030069295-A1 Use of histamine H3 receptor inverse agonists for the control of appetite and treatment of obesity HRH3, HRH4, HRH2 CDK1 4626/4885CDK2 4258/4885CCNB1 4408/4885

“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.