SCHEMBL9104150

SCHEMBL9104150

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.46
EPHX1 P07099 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CHRM2 P08172 8/20 0.40
CHRM1 P11229 8/20 0.40
CHRM3 P20309 8/20 0.40
CHRM4 P08173 7/20 0.40
CHRM5 P08912 6/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CFD P00746 1/20 0.38

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
SCHEMBL9108004 0.88 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL15602072 0.81 SMN1; SMN2 (0.78) SMN1; SMN2POLBKMT2AEPHX1SCN5A
SCHEMBL6507027 0.81 ALDH1A1 (0.54) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL8187591 0.80 POLB (0.53) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL13921013 0.79 POLB (0.52) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL13934345 0.78 POLB (0.51) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL24441127 0.78 POLB (0.58) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL29044252 0.78 POLB (0.58) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL29044251 0.78 POLB (0.58) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19
SCHEMBL3333984 0.78 POLB (0.53) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C19

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 7 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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 SMN1; SMN2 4659/4885POLB 2879/4885CYP1A2 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.