SCHEMBL2999576

SCHEMBL2999576

CCN(CC)Cc1c[nH]c2ccc(C(=O)OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.64
MPO P05164 1/20 0.58
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ATM Q13315 1/20 0.49
HTR1A P08908 2/20 0.47

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
SCHEMBL2992516 0.87 GPR84 (0.67) GPR84HSD17B10KDM4EALDH1A1HPGD
SCHEMBL22554662 0.86 GPR84 (0.73) GPR84HSD17B10KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL10564022 0.86 GPR84 (0.65) GPR84HSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL29871648 0.84 GPR84 (0.87) GPR84HSD17B10KDM4EALDH1A1HPGD
SCHEMBL12844152 0.83 GPR84 (0.68) GPR84HSD17B10L3MBTL1NPC1MEN1
SCHEMBL2161423 0.82 GPR84 (0.76) GPR84HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2161735 0.81 GPR84 (0.70) GPR84HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3974212 0.80 NPC1 (0.80) GPR84MPOHSD17B10KDM4EALDH1A1
SCHEMBL8528962 0.80 GPR84 (0.68) GPR84HSD17B10KDM4EALDH1A1HPGD
SCHEMBL31571584 0.80 GPR84 (0.68) GPR84MPOHSD17B10KDM4EALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (3 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885MPO 1802/4885HSD17B10 2791/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GPR84 2925/4885MPO 1802/4885HSD17B10 2791/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 GPR84 1765/4885MPO 887/4885HSD17B10 901/4885

“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.