SCHEMBL4136323

SCHEMBL4136323

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C(=O)N(C)C)C3)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
ESR1 P03372 1/20 0.35
PIK3CA P42336 6/20 0.34
MTOR P42345 4/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33
UCHL1 P09936 1/20 0.32
APLNR P35414 1/20 0.32
HTR2C P28335 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GRIA2 P42262 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4145752 0.81 IDH1 (0.36) IDH1BRD9BRD7ESR1PIK3CA
SCHEMBL4141105 0.81 CCNT1 (0.46) CCNT1CDK9KCNH2MCHR1
SCHEMBL4130666 0.79 BRD9 (0.40) IDH1KCNH2BRD9BRD7ESR1
SCHEMBL4144552 0.79 BRD9 (0.40) IDH1KCNH2BRD9BRD7ESR1
SCHEMBL4140050 0.75 USP30 (0.47) KCNH2MCHR1PIK3CACA1CA2
SCHEMBL4152594 0.75 IDH1 (0.36) IDH1BRD9BRD7PIK3CAMTOR
SCHEMBL4773243 0.75 BRD9 (0.39) IDH1KCNH2BRD9BRD7ESR1
SCHEMBL4136350 0.75 BRD9 (0.39) IDH1BRD9BRD7ESR1PIK3CA
SCHEMBL4145757 0.74 MCHR1 (0.43) CCNT1CDK9KCNH2MCHR1PIK3CA
SCHEMBL4139655 0.74 IDH1 (0.46) IDH1BRD9BRD7PIK3CAAPLNR

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 IDH1 4112/4885CCNT1 3527/4885CDK9 3553/4885

“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.