SCHEMBL29923610

SCHEMBL29923610

Cc1cc(-c2cccc3c2OCC[C@H]3CN(C)C(=O)OC(C)(C)C)ccn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4C Q9H3R0 6/20 0.33
MAPK1 P28482 3/20 0.33
WNT3A P56704 1/20 0.33
CNR2 P34972 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
UCHL1 P09936 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
USP30 Q70CQ3 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
SCHEMBL29923128 1.00 BRD4 (0.33) BRD4CREBBPKDM4CMAPK1WNT3A
SCHEMBL30782890 0.89 KDM4C (0.33) KDM4CUCHL1HTR2CSLC6A4
SCHEMBL27214623 0.89 KDM4C (0.33) KDM4CUCHL1HTR2CSLC6A4
SCHEMBL30782853 0.89 KDM4C (0.33) KDM4CUCHL1HTR2CSLC6A4
SCHEMBL30782850 0.89 KDM4C (0.33) KDM4CUCHL1HTR2CSLC6A4
SCHEMBL29923280 0.89 KDM4C (0.33) KDM4CUCHL1HTR2CSLC6A4
SCHEMBL27214590 0.88 BRD4 (0.34) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL27214554 0.88 BRD4 (0.34) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL27231219 0.88 BRD4 (0.34) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL29923158 0.88 SCN9A (0.34) BRD4CREBBPKDM4CCNR2AAK1

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 800/4885KDM4C 3293/4885

“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.