SCHEMBL6575429

SCHEMBL6575429

CC(C)[C@H](O)[C@H](Cc1ccccc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1A P35348 2/20 0.46
OPRK1 P41145 2/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 5/20 0.44
TAAR1 Q96RJ0 4/20 0.44
MAOA P21397 3/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
HPGD P15428 1/20 0.44
NPY5R Q15761 1/20 0.43
SLC18A2 Q05940 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL26841188 0.84 SLC6A2 (0.52) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL13416766 0.84 SLC6A2 (0.52) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL13417340 0.84 SLC6A2 (0.52) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL1389408 0.79 SLC6A2 (0.50) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL6575401 0.78 AOC3 (0.54) SLC6A2SLC6A4SLC6A3ADRA2CADRA2A
SCHEMBL20008956 0.76 TRPA1 (0.57) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL105769 0.76 TRPA1 (0.57) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL597722 0.74 SLC6A2 (0.48) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B
SCHEMBL6575399 0.73 SLC6A2 (0.57) TRPA1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL13417391 0.73 SLC6A2 (0.48) TRPA1SLC6A2SLC6A4SLC6A3ADRA2B

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
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A TRPA1 4750/4885SLC6A2 3620/4885SLC6A4 2588/4885

“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.