SCHEMBL29923155

SCHEMBL29923155

CN(C[C@@H]1CCOc2c(-c3ccc(F)cc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
IDH1 O75874 1/20 0.35
HTR2C P28335 4/20 0.34
SLC6A4 P31645 3/20 0.34
HTR2A P28223 1/20 0.34
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL27231219 0.89 BRD4 (0.34) BRD4CREBBPHTR2CSLC6A4KDM4C
SCHEMBL27214554 0.89 BRD4 (0.34) BRD4CREBBPHTR2CSLC6A4KDM4C
SCHEMBL27214590 0.89 BRD4 (0.34) BRD4CREBBPHTR2CSLC6A4KDM4C
SCHEMBL30782831 0.88 GPR119 (0.36) BRD4CREBBPIDH1KCNA5JAK2
SCHEMBL30782832 0.88 GPR119 (0.36) BRD4CREBBPIDH1KCNA5JAK2
SCHEMBL29923158 0.86 SCN9A (0.34) BRD4CREBBPHTR2CSLC6A4HTR2A
SCHEMBL27231336 0.86 ALDH1A1 (0.39) HTR2CHTR1AHTR7ALDH1A1LMNA
SCHEMBL27214650 0.86 ALDH1A1 (0.39) HTR2CHTR1AHTR7ALDH1A1LMNA
SCHEMBL29923313 0.86 GPR119 (0.33) BRD4CREBBPHTR2CSLC6A4KCNH2
SCHEMBL29923492 0.86 CPT2 (0.34) BRD4CREBBPHTR2CSLC6A4HTR2A

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 BRD4 931/4885CREBBP 800/4885IDH1 4839/4885

“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.