SCHEMBL9107799

SCHEMBL9107799

CC(C)(C)OC(=O)N1C[C@H](OC(C)(C)C)C[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9892269 0.87 CYP1A2 (0.54) CNR2TSHRCYP1A2POLBCYP3A4
SCHEMBL9892920 0.81 CNR2 (0.53) CNR2TSHRCYP1A2MEN1KMT2A
SCHEMBL9108193 0.79 CNR2 (0.59) CNR2TSHRCYP1A2MEN1KMT2A
SCHEMBL9108198 0.79 CNR2 (0.59) CNR2TSHRCYP1A2MEN1KMT2A
SCHEMBL3786164 0.78 CNR2 (0.55) CNR2TSHRCYP1A2MEN1KMT2A
SCHEMBL3786160 0.78 CNR2 (0.55) CNR2TSHRCYP1A2MEN1KMT2A
SCHEMBL24739170 0.72 MMP2 (0.41) CYP1A2POLBCYP3A4CYP2C19SMN1; SMN2
SCHEMBL18577099 0.72 MMP2 (0.41) CYP1A2POLBCYP3A4CYP2C19SMN1; SMN2
SCHEMBL18586768 0.72 MMP2 (0.41) CYP1A2POLBCYP3A4CYP2C19SMN1; SMN2
SCHEMBL18577435 0.72 HSD17B10 (0.41) CYP1A2POLBCYP3A4CYP2C19SMN1; SMN2

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 1/4885TSHR 1003/4885CYP1A2 1529/4885

“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.