SCHEMBL14827616

SCHEMBL14827616

C=C1Nc2ccc(C(C)C)cc2CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KIF11 P52732 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
OTUD7B Q6GQQ9 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KARS1 Q15046 2/20 0.30
CYP3A4 P08684 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL14827506 0.81 HPGD (0.50) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL5523346 0.75 HPGD (0.40) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL28233796 0.75 HPGD (0.62) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL9924347 0.73 KIF11 (0.45) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL17027185 0.72 HPGD (0.48) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL14827505 0.71 HPGD (0.43) HPGDGFERHSD17B10KIF11MEN1
SCHEMBL14804034 0.71 HPGD (0.37) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL2611053 0.68 AHR (0.56) HPGDGFERHSD17B10KIF11MEN1
SCHEMBL2611074 0.67 KIF11 (0.66) HPGDGFERHSD17B10KIF11CYP2C9
SCHEMBL21262976 0.66 HPGD (0.41) HPGDGFERHSD17B10KIF11CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HPGD 1406/4885GFER 2963/4885HSD17B10 3047/4885

“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.