SCHEMBL9892038

SCHEMBL9892038

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H](O)CN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.48
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
USP36 Q9P275 1/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL9892032 1.00 ADORA3 (0.48) ADORA3TP53ALOX15MAPK1CASP1
SCHEMBL9892036 0.85 CNR2 (0.50) ADORA3TP53ALOX15MAPK1CASP1
SCHEMBL2570675 0.79 CNR2 (0.52) SMN1; SMN2NPC1RAB9ALMNACNR2
SCHEMBL9106786 0.76 LMNA (0.46) SMN1; SMN2LMNACNR2HTTMEN1
SCHEMBL3710780 0.76 LMNA (0.46) SMN1; SMN2LMNACNR2HTTMEN1
SCHEMBL9105531 0.76 LMNA (0.46) SMN1; SMN2LMNACNR2HTTMEN1
SCHEMBL9892085 0.72 CNR1 (0.56) ADORA3TP53ALOX15MAPK1CASP1
SCHEMBL9103251 0.72 CHRM2 (0.44) LMNACNR2KMT2ACNR1
SCHEMBL9105214 0.72 ADORA3 (0.55) ADORA3TP53ALOX15MAPK1CASP1
SCHEMBL9101715 0.72 ADORA3 (0.55) ADORA3TP53ALOX15MAPK1CASP1

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-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

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 ADORA3 215/4885TP53 4450/4885ALOX15 966/4885

“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.