SCHEMBL26558012

SCHEMBL26558012

Cc1ccccc1C1CCCC(c2cc(N)ccc2C)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM1A O60341 1/20 0.35
PLA2G7 Q13093 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PROKR1 Q8TCW9 2/20 0.34

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
Hydrochloric Acid SCHEMBL31406372 0.83 ALDH1A1 (0.45) HTR2CCHRNB2CHRNA4ALDH1A1CASP1
SCHEMBL18031194 0.77 ALDH1A1 (0.50) HTR2CCHRNB2CHRNA4ALDH1A1CASP1
SCHEMBL1515219 0.77 HTR2C (0.67) HTR2CHTR2AHTR2BTSHR
SCHEMBL2916099 0.76 CHRNB2 (0.63) CHRNB2CHRNA4ALDH1A1CASP1CYP3A4
SCHEMBL21568469 0.75 HTR2C (0.50) HTR2CHTR2AHTR2BALDH1A1KDM1A
SCHEMBL31469392 0.73 HTR2C (0.67) HTR2CHTR2AHTR2BTSHR
SCHEMBL43079 0.73 HTR2C (0.67) HTR2CHTR2AHTR2BTSHR
SCHEMBL29871435 0.72 HTR2C (0.64) HTR2CHTR2AHTR2BTSHR
SCHEMBL8130416 0.72 HTR2C (0.64) HTR2CHTR2AHTR2BTSHR
SCHEMBL1128179 0.72 HTR2C (0.64) HTR2CHTR2AHTR2BTSHR

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-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-19 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-20230337534-A1 NITROGEN-CONTAINING COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF NUDC, SLC29A2, SLC6A19 HTR2C 3937/4885CHRNB2 2105/4885CHRNA4 1840/4885

“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.