SCHEMBL5044169

SCHEMBL5044169

O=C(N=c1sccn1CN1CCOCC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EPHX2 P34913 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL964856 0.91 MEN1 (0.40) KDM4ECNR2CNR1MEN1KMT2A
SCHEMBL964858 0.91 MEN1 (0.40) KDM4ECNR2CNR1MEN1KMT2A
SCHEMBL17007605 0.79 CNR1 (0.40) CNR2CNR1KMT2AALDH1A1LMNA
SCHEMBL965707 0.79 CNR1 (0.43) KDM4ECNR2CNR1KMT2AALDH1A1
SCHEMBL17007604 0.79 CNR1 (0.40) CNR2CNR1KMT2AALDH1A1LMNA
SCHEMBL965709 0.79 CNR1 (0.43) KDM4ECNR2CNR1KMT2AALDH1A1
SCHEMBL964659 0.76 CNR2 (0.53) CNR2CNR1LMNAGAA
SCHEMBL964658 0.76 CNR2 (0.53) CNR2CNR1LMNAGAA
SCHEMBL961083 0.75 HSD11B1 (0.43) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL961081 0.75 HSD11B1 (0.43) CNR2CNR1MEN1KMT2AALDH1A1

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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US claimed

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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 KDM4E 3198/4885CNR2 5/4885CNR1 10/4885

“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.