SCHEMBL7679168

SCHEMBL7679168

CC(C)(N)C#CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
DHFR P00374 1/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
PRMT1 Q99873 1/20 0.37
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL3218234 0.83 SLC6A2 (0.41) TAAR1SLC6A2DHFRKCNH2CYP2D6
SCHEMBL9806910 0.79 HSP90AA1 (0.41) TAAR1SLC6A2KCNH2CYP2D6CYP1A2
SCHEMBL1466372 0.75 FFAR1 (0.42) LMNAHSP90AA1HSP90AB1SMN1; SMN2HIF1A
SCHEMBL3888886 0.74 CALM1 (0.50) TAAR1KCNH2CYP1A2CYP3A4TP53
SCHEMBL28760837 0.72 CYP1A2 (0.39) DHFRKCNH2CYP1A2LMNATP53
SCHEMBL31257844 0.71 APP (0.50) TAAR1SLC6A2KCNH2CYP1A2CYP3A4
SCHEMBL185558 0.70 TP53 (0.43) TAAR1SLC6A2DHFRKCNH2CYP2D6
SCHEMBL3508191 0.70 LOXL2 (0.43) TAAR1DHFRKCNH2CYP1A2CYP3A4
SCHEMBL9574147 0.70 IDO1 (0.45) LMNASIGMAR1
SCHEMBL9856631 0.69 CALM1 (0.45) TAAR1DHFRKCNH2CYP1A2CYP3A4

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-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R TAAR1 3847/4885SLC6A2 2365/4885DHFR 2861/4885

“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.