SCHEMBL21524345

SCHEMBL21524345

CCC(CC)c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 3/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE2A O00408 1/20 0.37
SLC6A3 Q01959 4/20 0.36
PPARG P37231 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DRD2 P14416 3/20 0.35
EPHX2 P34913 2/20 0.35
PTGFR P43088 3/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19633875 0.86 KCNK3 (0.38) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL22791876 0.84 MPL (0.38) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL19506515 0.84 TSHR (0.48) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL9061789 0.82 PDE2A (0.40) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL1727979 0.82 ALDH1A1 (0.39) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL12261514 0.82 ALDH1A1 (0.39) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL1727859 0.82 ALDH1A1 (0.39) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL16563567 0.81 ALDH1A1 (0.38) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL19505951 0.80 DHFR (0.37) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL27644273 0.80 GRIK1 (0.40) KCNK3KCNK9PDE2APPARGL3MBTL1

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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-29 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 (2 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KCNK3 3577/4885KCNK9 4094/4885SLC6A2 3251/4885
US-10457703-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 KCNK3 2902/4885KCNK9 3049/4885SLC6A2 1056/4885

“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.