SCHEMBL9105152

SCHEMBL9105152

O=C(O)[C@@H]1CCCN1c1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 4/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
OGFRL1 Q5TC84 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.38
TSHR P16473 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL9105161 1.00 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ECYP2C19HSD17B10KMT2A
SCHEMBL28087269 0.95 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ECYP2C19HSD17B10KMT2A
SCHEMBL15129357 0.85 ELANE (0.47) SMN1; SMN2KDM4ECYP2C19OGFRL1
SCHEMBL15129611 0.82 MAPT (0.51) SMN1; SMN2KDM4EHSD17B10KMT2AMAPT
SCHEMBL21853236 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EHSD17B10KMT2AMAPT
SCHEMBL21853250 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EHSD17B10KMT2AMAPT
SCHEMBL28071008 0.80 KDM4E (0.41) SMN1; SMN2KDM4ECYP2C19HSD17B10KMT2A
SCHEMBL29140141 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ECYP2C19HSD17B10KMT2A
SCHEMBL8926206 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ECYP2C19HSD17B10KMT2A
SCHEMBL29221025 0.77 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10KMT2AALDH1A1OGFRL1

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 SMN1; SMN2 4659/4885KDM4E 2527/4885CYP2C19 1646/4885

“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.