SCHEMBL4501717

SCHEMBL4501717

O=C1OC2(CCNCC2)CN1Cc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
PTPRZ1 P23471 2/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL18422475 0.83 ALDH1A1 (0.52) GRM2TACR2TACR1ALDH1A1POLB
SCHEMBL1086423 0.82 TACR2 (0.39) GRM2TACR2TACR1GRIN1GRIN2B
SCHEMBL1085970 0.80 HSD11B1 (0.44) GRM2PTPRZ1
SCHEMBL1096019 0.80 TACR2 (0.48) GRM2TACR2TACR1ALDH1A1
SCHEMBL1086303 0.78 LMNA (0.40) GRM2TACR2TACR1HCRTR1HCRTR2
SCHEMBL1086224 0.78 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL14519941 0.77 GRM2 (0.50) GRM2ALDH1A1
SCHEMBL1086551 0.77 TACR1 (0.42) GRM2TACR2TACR1HCRTR1HCRTR2
SCHEMBL1086092 0.77 RIPK1 (0.39) GRM2ALDH1A1
SCHEMBL1086650 0.77 EPHX2 (0.47) ALDH1A1

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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC GRM2 389/4885TACR2 1923/4885TACR1 1796/4885

“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.