SCHEMBL9107638

SCHEMBL9107638

NC(=O)n1n[c]nc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ADORA2A P29274 2/20 0.36
MAP2K3 P46734 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 2/20 0.35
IKBKB O14920 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PKM P14618 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
KAT2B Q92831 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL3224786 0.71
SCHEMBL11461488 0.68 NR1H2 (0.46) NR1H2NR1H3KDM4EALDH1A1KMT2A
SCHEMBL17923447 0.67 SMN1; SMN2 (0.42) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL4714210 0.67 ALDH1A1 (0.40) NR1H2NR1H3KDM4EALDH1A1KMT2A
SCHEMBL10668273 0.63 ESR1 (0.51) ALDH1A1KMT2AADORA2AMAP2K3PARP1
SCHEMBL2855029 0.63 PDPK1 (0.43)
Biphenyl SCHEMBL473288 0.62 ALDH1A1 (0.60) KDM4EALDH1A1PARP1LMNAIKBKB
Biphenyl SCHEMBL4593266 0.62 ALDH1A1 (0.60) KDM4EALDH1A1PARP1LMNAIKBKB
Biphenyl SCHEMBL335359 0.62 ALDH1A1 (0.60) KDM4EALDH1A1PARP1LMNAIKBKB
Biphenyl SCHEMBL1952613 0.62 ALDH1A1 (0.60) KDM4EALDH1A1PARP1LMNAIKBKB

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 NR1H2 211/4885NR1H3 256/4885KDM4E 2527/4885

“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.