SCHEMBL4141105

SCHEMBL4141105

COc1ccncc1-c1ccc2c(c1)CCC(N1CCCC1C(=O)N(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
CYP11B2 P19099 4/20 0.43
PPARD Q03181 1/20 0.41
ABL1 P00519 2/20 0.40
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
PDE4B Q07343 1/20 0.36
FFAR2 O15552 1/20 0.36
GSK3B P49841 1/20 0.36
LRRK2 Q5S007 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL4136323 0.81 IDH1 (0.39) CCNT1CDK9MCHR1KCNH2
SCHEMBL4140050 0.75 USP30 (0.47) CYP11B2MCHR1KCNH2
SCHEMBL4145757 0.74 MCHR1 (0.43) CCNT1CDK9MCHR1KCNH2
SCHEMBL4142012 0.70 PDK1 (0.43) CYP11B2CYP1A2CYP11B1CYP3A4
SCHEMBL4145536 0.68 CYP1A2 (0.36) CYP11B2ABL1MCHR1KCNH2CYP1A2
SCHEMBL4135614 0.68 PDK1 (0.45) CYP11B2
SCHEMBL4139976 0.68 PDK1 (0.35) CCNT1CDK9CYP1A2CYP3A4CYP2C9
SCHEMBL4135531 0.68 S1PR1 (0.42) CCNT1CDK9ABL1MCHR1KCNH2
SCHEMBL4140663 0.68 HTR2C (0.42) ABL1KCNH2
SCHEMBL4147732 0.67 ALDH1A1 (0.38) PDE4B

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 CCNT1 3527/4885CDK9 3553/4885CYP11B2 745/4885

“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.