SCHEMBL21140749

SCHEMBL21140749

CC(C)N1CCc2ccc(C(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
NOTUM Q6P988 2/20 0.36
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
NFKB1 P19838 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR2 P34972 1/20 0.34
HSD11B1 P28845 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
HTR5A P47898 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL13683390 0.87 CYP3A4 (0.45) CYP3A4CYP2C9NOTUMNFKB1HSD11B1
SCHEMBL15893966 0.85 CNR2 (0.47) NOTUMHTR2AHTR2CHTR2BCNR2
SCHEMBL24721757 0.79 NLRP3 (0.40) CYP3A4CYP2C9NOTUMHSD11B1NLRP3
SCHEMBL13656198 0.78 TP53 (0.44) CYP3A4CYP2C9NOTUMNLRP3TRPV1
SCHEMBL13112854 0.77 NLRP3 (0.36) CYP3A4CYP2C9NOTUMCNR2NLRP3
SCHEMBL15591986 0.77 NOTUM (0.41) CYP3A4CYP2C9NOTUMCNR2NLRP3
SCHEMBL10092850 0.77 ALDH1A1 (0.46) CYP3A4NOTUMHTR2AHTR2CHTR2B
SCHEMBL12356967 0.76 CNR2 (0.42) NOTUMHTR2AHTR2CHTR2BCNR2
SCHEMBL19675746 0.76 ATAD2 (0.40) CYP3A4NOTUMHTR2AHTR2CHTR2B
SCHEMBL10311201 0.76 CHRM2 (0.42) CYP3A4NOTUMHTR2AHTR2CHTR2B

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 CYP3A4 1293/4885CYP2C9 1918/4885NOTUM 1200/4885

“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.