SCHEMBL9891887

SCHEMBL9891887

CC(C)(C)C1C[C@@H](O)CN1c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
DRD4 P21917 4/20 0.39
CCR1 P32246 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
OPRK1 P41145 1/20 0.35
AKR1C3 P42330 1/20 0.34
PRKCZ Q05513 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
NOTUM Q6P988 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 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
SCHEMBL16480433 0.78 CNR1 (0.42) CNR2CNR1DRD4CCR1TMEM97
SCHEMBL9893030 0.75 DRD4 (0.43) CNR2CNR1DRD4CCR1TMEM97
SCHEMBL9891499 0.73 CNR2 (0.36) CNR2CNR1DRD4SIGMAR1DRD2
SCHEMBL3806525 0.71 DRD4 (0.53) CNR2CNR1DRD4CCR1TMEM97
SCHEMBL3806529 0.71 DRD4 (0.53) CNR2CNR1DRD4CCR1TMEM97
SCHEMBL9891821 0.70 CNR2 (0.43) CNR2CNR1TMEM97SIGMAR1ADRA2B
SCHEMBL16253027 0.69 CNR2 (0.44) CNR2CNR1SIGMAR1CYP2C8CYP2C9
SCHEMBL9891837 0.67 GPR119 (0.38) CNR2
SCHEMBL2759049 0.67 WDR91 (0.43) CNR2CNR1SIGMAR1NOTUM
SCHEMBL23118807 0.66 MEN1 (0.39) MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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 CNR2 1/4885CNR1 2/4885DRD4 443/4885

“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.