SCHEMBL545606

SCHEMBL545606

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C(F)(F)F)cc2N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
GPR4 P46093 1/20 0.43
EPHX2 P34913 3/20 0.43
MGLL Q99685 3/20 0.42
KDM4E B2RXH2 2/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CNR2 P34972 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
ACKR3 P25106 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL545534 0.84 RXFP1 (0.53) RXFP1MAPTKDM4EALDH1A1LMNA
SCHEMBL29716350 0.82 LTA4H (0.56) RXFP1MAPTGPR119GPR4EPHX2
SCHEMBL22118023 0.81 RXFP1 (0.48) RXFP1GPR119GPR4EPHX2ALDH1A1
SCHEMBL20137385 0.81 MGLL (0.53) MAPTMGLLENPP2
SCHEMBL1265140 0.79 LTA4H (0.57) MAPTKDM4EALDH1A1LMNAHTR2A
SCHEMBL22118030 0.79 HTR1B (0.52) RXFP1GPR4EPHX2KDM4EALDH1A1
SCHEMBL7005111 0.79 DRD3 (0.48) RXFP1GPR4EPHX2ALDH1A1HTR2A
SCHEMBL18910796 0.78 EPHX2 (0.47) RXFP1EPHX2HTR2AACKR3
SCHEMBL5108941 0.78 RXFP1 (0.56) RXFP1MAPTGPR119EPHX2LMNA
SCHEMBL13648213 0.78 HTR4 (0.46) RXFP1GPR4EPHX2KMT2ASQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 RXFP1 4811/4885MAPT 2178/4885GPR119 1109/4885

“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.