SCHEMBL3640539

SCHEMBL3640539

O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(-c2ncccn2)c2cccc(Cl)c12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.48
CNR1 P21554 3/20 0.48
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASR P41180 1/20 0.43

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
SCHEMBL11885586 0.86 P2RX7 (0.57) P2RX7KDM4EALDH1A1HPGD
SCHEMBL11885593 0.85 P2RX7 (0.42) CNR2CNR1P2RX7
SCHEMBL11885587 0.84 P2RX7 (0.58) P2RX7
SCHEMBL3640542 0.83 HSD11B1 (0.45) CNR2CNR1P2RX7HTT
SCHEMBL11885606 0.78 HTR3A (0.46) P2RX7KDM4EALDH1A1HTTATM
SCHEMBL3645958 0.76 RORC (0.43) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3639030 0.76 P2RX7 (0.56) P2RX7
SCHEMBL13945457 0.75 PARP1 (0.41) KDM4E
SCHEMBL3647065 0.75 IL1B (0.63) P2RX7
SCHEMBL3748009 0.75 P2RX7 (0.62) 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 5 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 claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 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 (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 CNR2 29/4885CNR1 51/4885P2RX7 5/4885

“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.