SCHEMBL9891854

SCHEMBL9891854

CC(C)(C)C1CCCN1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
GBA1 P04062 1/20 0.33
SLC6A9 P48067 1/20 0.32
ACHE P22303 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL16253048 0.94 CHRM5 (0.39) CNR1CNR2GBA1ACHECHRM5
SCHEMBL24927684 0.92 CHRM5 (0.42) CNR1CNR2GBA1SLC6A9ACHE
SCHEMBL9891888 0.92 CHRM5 (0.42) CNR1CNR2GBA1SLC6A9ACHE
SCHEMBL14663949 0.88 CHRM5 (0.47) CNR1CNR2GBA1ACHECHRM5
SCHEMBL9891852 0.87 GBA1 (0.43) CNR1CNR2GBA1
SCHEMBL16253011 0.82 CNR2 (0.44) CNR1CNR2GBA1ACHECHRM5
SCHEMBL9891861 0.81 CNR1 (0.36) CNR1CNR2GBA1
SCHEMBL24037533 0.81 SLC6A9 (0.31) SLC6A9
SCHEMBL24926400 0.80 CNR1 (0.33) CNR1CNR2
SCHEMBL9891892 0.79 NR1H2 (0.34) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298140-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2022-09-22 US disclosed
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
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 (2 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 CNR1 2/4885CNR2 1/4885GBA1 3004/4885
US-20220298140-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF JAK2, FLT3, JAK1 CNR1 2866/4885CNR2 1996/4885GBA1 4225/4885

“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.