SCHEMBL17439450

SCHEMBL17439450

CC1CCC(C(C)C)C(C#N)(C(=O)N(C)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PGR P06401 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SLC6A2 P23975 1/20 0.32
POLB P06746 1/20 0.32
LIPE Q05469 1/20 0.32
IDE P14735 1/20 0.31

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
SCHEMBL7799804 0.71 L3MBTL1 (0.42) KMT2ALMNA
SCHEMBL5244036 0.63 NPSR1 (0.43) NPSR1KMT2ALMNA
SCHEMBL12484267 0.63 NPSR1 (0.43) NPSR1KMT2ALMNA
SCHEMBL16244240 0.63 GPBAR1 (0.34)
SCHEMBL337275 0.62 CCR2 (0.36) NPSR1KMT2ASLC6A2
SCHEMBL1633448 0.62 HSD11B1 (0.47)
SCHEMBL1636848 0.62 HSD11B1 (0.47)
SCHEMBL1633449 0.62 HSD11B1 (0.47)
SCHEMBL13841220 0.62 HTT (0.53) PKMKMT2ALMNAPOLB
SCHEMBL3455674 0.61 HSD11B1 (0.49) ALDH1A1NPSR1KMT2ALMNA

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-20160015614-A1 COMPOSITIONS OF ALKYLAMIDOTHIAZOLES AND UV-FILTER SUBSTANCES BEIERSDORF AG (DE) 2016-01-21 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-20160015614-A1 COMPOSITIONS OF ALKYLAMIDOTHIAZOLES AND UV-FILTER SUBSTANCES TYR, NACA, AADAC PKM 2879/4885ALDH1A1 228/4885NPSR1 3839/4885

“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.