SCHEMBL3021583

SCHEMBL3021583

Nc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.57
ADORA2A P29274 1/20 0.55
CA2 P00918 1/20 0.50
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4500841 0.78 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL14943853 0.77 P2RX7 (0.61) P2RX7ADORA2AALDH1A1
SCHEMBL13238442 0.76 P2RX7 (0.51) P2RX7ADORA2ACA2ALDH1A1
SCHEMBL3745242 0.75 P2RX7 (0.51) P2RX7ADORA2AALDH1A1
SCHEMBL6084856 0.74 P2RX7 (0.58) P2RX7
SCHEMBL31424200 0.74 P2RX7 (0.76) P2RX7
SCHEMBL3730219 0.73 P2RX7 (0.56) P2RX7CA2EPHX2
SCHEMBL3454922 0.73 P2RX7 (1.00) P2RX7CA2EPHX2
SCHEMBL7571057 0.73 P2RX7 (1.00) P2RX7CA2
SCHEMBL7570195 0.73 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
CN-101621931-A Heteroaryl amide derivatives LUNDBECK & CO AS H 2010-01-06 CN disclosed
EP-2096923-A2 HETEROARYL AMIDE DERIVATIVES H. Lundbeck A/S (DK) 2009-09-09 EP disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 WO disclosed
WO-2008066789-A2 HETEROARYL AMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2008-06-05 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 (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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 P2RX7 508/4885ADORA2A 186/4885CA2 3825/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 P2RX7 508/4885ADORA2A 186/4885CA2 3825/4885

“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.