SCHEMBL3683058

SCHEMBL3683058

Cn1ccnc1Cn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.59
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
MCL1 Q07820 4/20 0.50
DAO P14920 1/20 0.44
PLA2G10 O15496 1/20 0.44
GPR35 Q9HC97 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ADORA2B P29275 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL3682265 0.85 NOD2 (0.61) ALDH1A1POLBTSHRKMT2AMEN1
SCHEMBL20604983 0.76 CCR2 (0.65) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL30622493 0.76 CCR2 (0.65) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL11885566 0.76 CNR2 (0.39) ALDH1A1POLBTSHRKMT2AMEN1
SCHEMBL5378162 0.75 CCR2 (1.00) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL30547877 0.75 CCR2 (0.59) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL700800 0.74 ALDH1A1 (0.69) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL30790884 0.73 CCR2 (0.60) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL30790920 0.73 CCR2 (0.60) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL13701158 0.73 CCR2 (0.69) CCR2ALDH1A1CYP1A2POLBMCL1

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-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A CCR2 244/4885ALDH1A1 1615/4885CYP1A2 787/4885

“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.