SCHEMBL2299780

SCHEMBL2299780

CC(C)(C)OC(=O)N1CCC2(CC1)CCC(c1ccccc1)(N1CCC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
OPRD1 P41143 2/20 0.46
TACR1 P25103 1/20 0.46
OPRK1 P41145 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
SCD5 Q86SK9 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR5 P51681 2/20 0.43
CYP11B2 P19099 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP2B6 P20813 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL13333843 0.85 CYP2D6 (0.46) TSHRALOX15ATMTACR1GPR119
SCHEMBL2201445 0.82 SIGMAR1 (0.53) OPRD1CYP2C19CYP3A4MEN1MAPK1
SCHEMBL14304640 0.81 TSHR (0.48) TSHRALOX15ATMOPRD1TACR1
SCHEMBL346995 0.77 USP2 (0.56) GPR119CYP11B2SMN1; SMN2
SCHEMBL5428425 0.77 MEN1 (0.56) TSHRALOX15ATMGPR119SCD5
SCHEMBL3246933 0.77 TSHR (0.57) TSHRALOX15ATMOPRD1TACR1
SCHEMBL12851995 0.77 OPRM1 (0.55) OPRD1CYP3A4MEN1KMT2AGRIN2D
SCHEMBL240381 0.77 TSHR (0.57) TSHRALOX15ATMOPRD1TACR1
SCHEMBL972474 0.76 TSHR (0.65) TSHRALOX15ATMOPRD1TACR1
SCHEMBL10324681 0.76 TSHR (0.56) TSHRALOX15ATMOPRD1TACR1

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-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN TSHR 477/4885ALOX15 3612/4885ATM 1737/4885

“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.