SCHEMBL29923889

SCHEMBL29923889

CN(CC1CCOc2c(Br)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR1A P08908 2/20 0.33
IDH1 O75874 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR2C P28335 4/20 0.32
SLC6A4 P31645 4/20 0.32
SPR P35270 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
CNR2 P34972 1/20 0.31
UCHL1 P09936 1/20 0.31
NR1H2 P55055 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
SCHEMBL29923138 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL29923499 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL27214610 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL27214647 0.84 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL27214556 0.84 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL27214598 0.84 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL29960221 0.82 SSTR4 (0.39) PTGDR2HTR2CSLC6A4SPRKDM4C
SCHEMBL27214554 0.82 BRD4 (0.34) HTR2CSLC6A4KDM4C
SCHEMBL29923155 0.82 BRD4 (0.36) HTR1AIDH1HTR7PTGDR2HTR2C
SCHEMBL27231219 0.82 BRD4 (0.34) HTR2CSLC6A4KDM4C

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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2024-05-09 US disclosed
WO-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS TAAR1, HTR1A, HTR1F ADRA2A 72/4885ADRA2B 114/4885ADRA2C 60/4885

“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.