SCHEMBL19736349

SCHEMBL19736349

CC(C)c1ccc(CCCC(C)c2ccc(C3CC3)nc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.34
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ DGKZ Q13574 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
SCHEMBL12197739 0.80 CHRNA7 (0.46) CHRNA7IDH1KDM5BPSEN1PSEN2
SCHEMBL22404460 0.80 LMNA (0.42) ESR1ESR2
SCHEMBL25935036 0.74 NPSR1 (0.39) IDH1KDM5BDGKZ
SCHEMBL14580443 0.74 CHRNA7 (0.43) CHRNA7IDH1KDM5B
SCHEMBL21864515 0.73 CHRNA7 (0.43) CHRNA7IDH1KDM5B
SCHEMBL18407481 0.73 CHRNA7 (0.43) CHRNA7IDH1KDM5B
SCHEMBL10470957 0.72 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10470958 0.72 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL828068 0.71 GABRP (0.40) ESR1ESR2
SCHEMBL24409539 0.71 TRPV3 (0.40) CHRNA7IDH1KDM5BPSEN1PSEN2

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRNA7 4323/4885ESR1 3766/4885ESR2 2293/4885

“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.

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