SCHEMBL27214554

SCHEMBL27214554

CN(C[C@H]1CCOc2c(-c3ccncc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
BUB1 O43683 2/20 0.34
KDM4C Q9H3R0 10/20 0.34
GPR119 Q8TDV5 3/20 0.34
KDM4D Q6B0I6 1/20 0.33
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ROCK1 Q13464 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MGLL Q99685 1/20 0.32

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 1.00 BRD4 (0.34) BRD4CREBBPBUB1KDM4CGPR119
SCHEMBL27214590 1.00 BRD4 (0.34) BRD4CREBBPBUB1KDM4CGPR119
SCHEMBL29923339 0.91 GPR119 (0.37) KDM4CGPR119KDM4D
SCHEMBL29923145 0.91 GPR119 (0.37) KDM4CGPR119KDM4D
SCHEMBL29923582 0.91 GPR119 (0.35) BRD4CREBBPKDM4CGPR119HTR2C
SCHEMBL29923313 0.90 GPR119 (0.33) BRD4CREBBPKDM4CGPR119HTR2C
SCHEMBL29923155 0.89 BRD4 (0.36) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL29923128 0.88 BRD4 (0.33) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL29923610 0.88 BRD4 (0.33) BRD4CREBBPKDM4CHTR2CSLC6A4
SCHEMBL29923235 0.87 KDM4C (0.36) KDM4CGPR119

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 800/4885BUB1 2330/4885

“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.