SCHEMBL6427432

SCHEMBL6427432

NCCCC1(O)CC=Cc2c(N)cccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL11039265 0.83
Hydrochloric Acid SCHEMBL11272849 0.75 HTR1A (0.31) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL8126246 0.67 CD44 (0.32)
SCHEMBL4473110 0.57 KDM4E (0.35)
SCHEMBL30499576 0.56 CD44 (0.30)
SCHEMBL31072416 0.56 TXNRD1 (0.32)
SCHEMBL8817458 0.56 KDM4E (0.37)
SCHEMBL28805982 0.56
SCHEMBL30042324 0.54 ALDH1A1 (0.38)
Diaminooctane SCHEMBL9863969 0.53 CYP3A4 (0.59) HTR2A

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-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 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-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 HTR1A 1599/4885HTR1B 1210/4885HTR2A 1071/4885

“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.