SCHEMBL4173286

SCHEMBL4173286

CCOc1ccc2c(n1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
KDM4E B2RXH2 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL14149272 0.85 ADRA2A (0.40) ADRA2AADRA2BADRA2CKDM4EHTR2A
SCHEMBL4170720 0.79 DRD2 (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1699735 0.78 MAPT (0.33) ADRA2AADRA2BADRA2CKDM4EDRD2
SCHEMBL9300761 0.77 GRM5 (0.46) CDK5CDK5R1GAA
SCHEMBL4181488 0.76 NPC1 (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4167674 0.75 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL17624120 0.74 HTT (0.38) MAPT
SCHEMBL4426496 0.73 GRM5 (0.44) MAPTTSHRLMNASMN1; SMN2
SCHEMBL10286602 0.73 GPR174 (0.35) KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL28024469 0.73 GRM5 (0.43) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
EP-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 EP disclosed
WO-2005121095-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2005-12-22 WO disclosed
US-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2005-12-15 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 (2 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-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide C5AR2, C5AR1, C3AR1 ADRA2A 333/4885ADRA2B 351/4885ADRA2C 289/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 ADRA2A 479/4885ADRA2B 302/4885ADRA2C 423/4885

“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.