SCHEMBL2801366

SCHEMBL2801366

CC1CN2CCCC2CN1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL26767154 1.00 HTR6 (0.39) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL14395626 1.00 HTR6 (0.39) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL10073208 1.00 HTR6 (0.39) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL597625 1.00 HTR6 (0.39) HTR6ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL22820393 0.94 HTR6 (0.47) HTR6HTR2AHTR2CHTR2B
SCHEMBL12522680 0.81 ADRA1A (0.33) HTR6ALDH1A1
SCHEMBL12522594 0.81 ADRA1A (0.33) HTR6ALDH1A1
SCHEMBL12350484 0.77 HTR6 (0.36) HTR6ALDH1A1
SCHEMBL14856418 0.77 HTR6 (0.36) HTR6ALDH1A1
SCHEMBL24306809 0.75 HTR6 (0.39) HTR6

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
WO-2022063094-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2022-03-31 WO disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 EP disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 WO 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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 HTR6 1155/4885ALDH1A1 50/4885HTR2A 1414/4885

“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.