SCHEMBL27214599

SCHEMBL27214599

CC(C)(C)OC(=O)NC[C@@H]1CCOc2c(-c3ccnc(C(F)(F)F)c3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.40
ACACA Q13085 3/20 0.40
KDM4C Q9H3R0 9/20 0.38
RAF1 P04049 3/20 0.36
MAP3K5 Q99683 1/20 0.35
P2RX7 Q99572 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL29923132 1.00 ACACB (0.40) ACACBACACAKDM4CRAF1MAP3K5
SCHEMBL30782919 1.00 ACACB (0.40) ACACBACACAKDM4CRAF1MAP3K5
SCHEMBL30782931 1.00 ACACB (0.40) ACACBACACAKDM4CRAF1MAP3K5
SCHEMBL29923565 0.89 ACACB (0.42) ACACBACACAKDM4CCKS1BSKP1
SCHEMBL29923318 0.89 ACACB (0.42) ACACBACACAKDM4CCKS1BSKP1
SCHEMBL27214567 0.88 KDM4C (0.37) ACACBACACAKDM4CCKS1BSKP1
SCHEMBL29923089 0.88 KDM4C (0.37) ACACBACACAKDM4CCKS1BSKP1
SCHEMBL27214634 0.88 KDM4C (0.42) KDM4CP2RX7
SCHEMBL27231290 0.88 KDM4C (0.42) KDM4CP2RX7
SCHEMBL29923261 0.86 ACACB (0.43) ACACBACACAKDM4CCKS1BSKP1

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 1 patent. 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

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 ACACB 4777/4885ACACA 4121/4885KDM4C 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.