SCHEMBL14084282

SCHEMBL14084282

CN1CCC2(CCC(=CC#N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.33
DRD3 P35462 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL124039 0.80 DRD3 (0.39) DRD3ALDH1A1HTT
SCHEMBL23568586 0.73 USP2 (0.35) DRD3TSHR
SCHEMBL14370128 0.71 DRD3 (0.39) DRD3
SCHEMBL19552162 0.71 DRD3 (0.33) DRD3
SCHEMBL1753867 0.69 TSHR (0.43) CYP1A2TSHR
SCHEMBL11947849 0.67 TSHR (0.42) CYP1A2TSHR
SCHEMBL10881206 0.67 DRD3 (0.43) DRD3
SCHEMBL8369489 0.67
SCHEMBL7472603 0.67 DRD3 (0.33) DRD3CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL18975892 0.66

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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 OPRM1 3452/4885DRD3 1529/4885CYP1A2 1982/4885

“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.