SCHEMBL29761978

SCHEMBL29761978

CN1CCN(C(c2ccc(O)nc2)c2nnnn2Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.74
MAPK1 P28482 2/20 0.74
HRH4 Q9H3N8 1/20 0.74
SLC1A2 P43004 8/20 0.73
SLC1A3 P43003 7/20 0.73
SLC1A1 P43005 3/20 0.67
KCNH2 Q12809 1/20 0.67
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2D6 P10635 1/20 0.57

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
SCHEMBL29761966 0.91 SLC1A2 (0.79) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29761967 0.88 SLC1A2 (0.83) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29761958 0.88 HRH3 (0.74) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29761980 0.84 SLC1A2 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29761985 0.84 SLC1A3 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL4193300 0.83 HRH3 (0.78) HRH3CYP2D6
SCHEMBL29761962 0.80 SLC1A3 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL4024863 0.80 HRH3 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29761971 0.79 SLC1A3 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3
SCHEMBL29762001 0.79 SLC1A2 (1.00) HRH3MAPK1HRH4SLC1A2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267308-A1 Modulators of Excitatory Amino Acid Transporters and Methods Using Same DREXEL UNIVERSITY 2022-08-25 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-20220267308-A1 Modulators of Excitatory Amino Acid Transporters and Methods Using Same SLC1A2, SLC1A1, SLC1A3 HRH3 3145/4885MAPK1 2948/4885HRH4 3052/4885

“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.