SCHEMBL9893161

SCHEMBL9893161

CCC1CCCN1CC1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
GBA1 P04062 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL9893175 0.92 NR1H2 (0.35) MAPK1
SCHEMBL9893057 0.90 HSD11B1 (0.41) HSD11B1GBA1CNR1CNR2MAPK1
SCHEMBL27126557 0.85 GBA1 (0.40) HSD11B1GBA1CNR1CNR2MAPK1
SCHEMBL12717512 0.80 MAPK1 (0.36) CNR1CNR2MAPK1ALDH1A1CRHBP
SCHEMBL16480436 0.80 MAPK1 (0.36) CNR1CNR2MAPK1ALDH1A1CRHBP
SCHEMBL16480492 0.79 KCNH2 (0.40) HSD11B1GBA1CNR1CNR2KCNH2
SCHEMBL9892853 0.79 GBA1 (0.46) HSD11B1GBA1CNR1CNR2KCNH2
SCHEMBL25681716 0.77 GBA1 (0.30) GBA1
SCHEMBL9893069 0.77 CHRM5 (0.43) GBA1MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL172614 0.77 CHRM5 (0.43) GBA1MAPK1ALDH1A1CRHBPCRHR2

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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HSD11B1 3537/4885GBA1 3004/4885CNR1 2/4885

“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.