SCHEMBL37879

SCHEMBL37879

CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C(=O)O)[C@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
RECQL P46063 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PREP P48147 4/20 0.40
PDE4B Q07343 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 1/20 0.39
USP30 Q70CQ3 1/20 0.39
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5311614 1.00 NR1H2 (0.54) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL3449731 0.89 NR1H2 (0.48) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL24367589 0.89 NR1H2 (0.55) NR1H2USP2SMN1; SMN2GPR119JAK2
SCHEMBL13110519 0.89 NR1H2 (0.48) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL19889976 0.87 GPR119 (0.46) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL28825328 0.84 NR1H2 (0.56) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL23924130 0.83 USP2 (0.48) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL23951365 0.83 USP2 (0.48) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL23924132 0.83 USP2 (0.48) NR1H2USP2SMN1; SMN2GPR119RECQL
SCHEMBL26422959 0.83 NR1H2 (0.54) NR1H2USP2SMN1; SMN2GPR119RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO 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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 NR1H2 1912/4885USP2 4557/4885SMN1; SMN2 1599/4885

“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.