SCHEMBL6635752

SCHEMBL6635752

c1ccc(CC2CCN(Cc3cnc(N4CCC(Cc5ccccc5)CC4)n4nc(-c5ccco5)nc34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.45
ADORA1 P30542 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADORA3 P0DMS8 6/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR3 P51677 1/20 0.42
ATM Q13315 3/20 0.42
ADORA2B P29275 1/20 0.42
TSHR P16473 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
SCHEMBL6633183 0.96 ADORA2A (0.49) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6632401 0.96 ADRA2A (0.44) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6631387 0.95 ADORA2A (0.51) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6631960 0.94 ADORA2A (0.47) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6632344 0.94 ADORA2A (0.47) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6633375 0.93 ADORA2A (0.44) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6632003 0.93 ADORA2A (0.49) ADORA2AADORA1ADRA2AADRA2BADRA2C
SCHEMBL6631781 0.92 ADRA2A (0.42) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6633413 0.91 ADRA2A (0.43) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL6632053 0.90 ADORA2A (0.41) ADORA2AADORA1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ADORA2A 89/4885ADORA1 129/4885ALDH1A1 1430/4885

“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.