SCHEMBL6080164

SCHEMBL6080164

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.46
AVPR2 P30518 2/20 0.44
AVPR1A P37288 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGER1 P34995 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EDNRA P25101 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL6080081 0.91 MAPT (0.42) ADORA3ADORA2AADORA1PTGER1MAPT
SCHEMBL6080462 0.90 BACE1 (0.47) MAPT
SCHEMBL6080132 0.80 HRH4 (0.46) HRH4AVPR2AVPR1AMAPK1HTR6
SCHEMBL6080351 0.80 MAPT (0.49) ADORA3ADORA2AADORA1PTGER1MAPT
SCHEMBL6079779 0.80 KDM4A (0.42) HRH4
SCHEMBL6594367 0.79 HRH4 (0.47) HRH4AVPR2AVPR1AADORA3ADORA2A
SCHEMBL6080005 0.79 MAPT (0.48) ADORA3ADORA2AADORA1PTGER1MAPT
SCHEMBL6080162 0.74 ALDH1A1 (0.46) HRH4ADORA3ADORA2AADORA1MAPT
SCHEMBL6080232 0.74 PTGER1 (0.43) ADORA3ADORA2AADORA1PTGER1MAPT
SCHEMBL6080599 0.74 ADORA1 (0.46) ADORA3ADORA2AADORA1PTGER1MAPT

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
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL HRH4 619/4885AVPR2 1922/4885AVPR1A 2700/4885

“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.