SCHEMBL26065404

SCHEMBL26065404

CCCc1c2ccoc2c(C)c2ccoc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NOS2 P35228 1/20 0.33
HSD17B3 P37058 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 3/20 0.31
ALDH1A2 O94788 2/20 0.31
ALDH2 P05091 2/20 0.31
ALDH1B1 P30837 2/20 0.31
ALDH1A3 P47895 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A1 P04798 1/20 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
SCHEMBL24163664 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BHSD17B10
SCHEMBL24163655 0.81 HTR2A (0.41) HTR2AHTR2CHTR2BNOS2ALDH1A1
SCHEMBL29991772 0.80 HTR2A (0.59) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL19073223 0.79 KDM4E (0.36) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL26065403 0.74 SLC5A2 (0.30) HTR2AHTR2CHTR2B
SCHEMBL15447924 0.71 KDM4E (0.33) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL24163647 0.70 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL26065401 0.70 KCNA3 (0.39) ALDH1A1KDM4EHPGDHSD17B10CYP1A1
SCHEMBL26065399 0.70 TLR8 (0.33) HTR2AHTR2CHSD17B3ALDH1A1KDM4E
SCHEMBL19073140 0.69 HTR2A (0.31) HTR2AHTR2CHTR2B

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-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-24 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-20230265045-A1 PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS PNMT, HTR2C, HTR2A HTR2A 3/4885HTR2C 2/4885HTR2B 6/4885

“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.