SCHEMBL1500284

SCHEMBL1500284

CC(C)(O)CCc1cn2cc(Br)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
PIK3CG P48736 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MAP3K5 Q99683 1/20 0.42
METTL3 Q86U44 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
APP P05067 4/20 0.40
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1500308 0.85 PIK3CG (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500197 0.80 PIK3CG (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL16797795 0.76 PIK3CG (0.56) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500354 0.76 PIK3CG (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL9598573 0.76 PIK3CG (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500151 0.76 PIK3CG (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500298 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1500443 0.76 PIK3CG (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL22498414 0.74 GAA (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1DRD2
SCHEMBL31309594 0.73 PIK3CG (0.51) RAB9ANPC1SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 RAB9A 1551/4885NPC1 2106/4885SMN1; SMN2 867/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 RAB9A 1128/4885NPC1 2125/4885SMN1; SMN2 831/4885

“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.