SCHEMBL9892080

SCHEMBL9892080

O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
CDK3 Q00526 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.54
CNR2 P34972 3/20 0.51
CNR1 P21554 2/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CLK1 P49759 1/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 4/20 0.48

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
SCHEMBL9891970 0.75 CCNE1 (0.53) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL9891937 0.75 SMN1; SMN2 (0.60) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL9891938 0.75 CNR2 (0.56) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL24342057 0.74 LMNA (0.74) LMNAAPOBEC3AAPOBEC3GALDH1A1SMN1; SMN2
SCHEMBL9891969 0.74 CCNE1 (0.52) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL9891931 0.74 CNR2 (0.67) CCNE1CDK2CDK3ALDH1A1CNR2
SCHEMBL9892079 0.74 CCNE1 (0.54) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL9892090 0.74 ADORA3 (0.57) LMNACCNE1CDK2CDK3SMN1; SMN2
SCHEMBL9893102 0.74 CNR2 (0.60) LMNACCNE1CDK2CDK3ALDH1A1
SCHEMBL9891973 0.74 CCNE1 (0.52) LMNACCNE1CDK2CDK3ALDH1A1

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 5 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
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 LMNA 4696/4885APOBEC3A 4734/4885APOBEC3G 4554/4885

“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.