SCHEMBL3038005

SCHEMBL3038005

Brc1ccc(COc2ccc(CN3CCC3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.77
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL6057451 0.97 HRH3 (0.82) HRH3
SCHEMBL31484892 0.85 HRH3 (0.78) HRH3NPC1TP53RAB9A
SCHEMBL3031580 0.85 HRH3 (0.78) HRH3
SCHEMBL3041814 0.85 HRH3 (0.57) HRH3
SCHEMBL1241202 0.84 ALDH1A1 (0.68) HRH3
SCHEMBL7811609 0.84 NPC1 (0.78) HRH3NPC1TP53RAB9A
SCHEMBL3034002 0.84 HRH3 (0.61) HRH3NPC1TP53RAB9A
SCHEMBL7139221 0.81 LTA4H (0.75) HRH3
SCHEMBL21348251 0.81 HRH3 (0.66) HRH3NPC1TP53RAB9A
SCHEMBL1239274 0.80 HRH3 (0.74) HRH3

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
CN-108912029-A Nitrogen-containing heterocycle amide derivatives and application thereof 广东东阳光药业有限公司 2018-11-30 CN disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 HRH3 469/4885NPC1 965/4885TP53 4509/4885

“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.