SCHEMBL3117118

SCHEMBL3117118

CCOC(=O)C1CCN(CC(=O)N(c2ccccc2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.47
NPC1L1 Q9UHC9 1/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB3 P13945 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3121949 0.86 MEN1 (0.52) OPRM1TSHRGAATDP1KMT2A
SCHEMBL3116314 0.85 OPRM1 (0.50) OPRM1TSHRGAATDP1KMT2A
SCHEMBL3118687 0.85 MEN1 (0.54) OPRM1KDM4EALDH1A1TSHRGAA
SCHEMBL3117177 0.84 OPRM1 (0.52) OPRM1GAATDP1KCNH2
SCHEMBL3112235 0.84 OPRM1 (0.51) OPRM1TSHRGAATDP1KMT2A
SCHEMBL3117124 0.84 ALDH1A1 (0.56) OPRM1KDM4EALDH1A1TSHRGAA
SCHEMBL4468382 0.84 GAA (0.64) KDM4EALDH1A1TSHRGAATDP1
SCHEMBL3113547 0.83 SIGMAR1 (0.49) OPRM1TSHRGAATDP1KMT2A
SCHEMBL3122442 0.83 SIGMAR1 (0.49) OPRM1TSHRGAATDP1KMT2A
SCHEMBL3116924 0.83 SIGMAR1 (0.54) OPRM1GAATDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 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 (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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 OPRM1 158/4885KDM4E 802/4885ALDH1A1 618/4885

“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.