SCHEMBL25313201

SCHEMBL25313201

CC(F)(F)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.36
SPR P35270 1/20 0.35
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP4 P27487 1/20 0.33
EPHX2 P34913 1/20 0.33
PDK2 Q15119 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25315292 1.00 CYP2D6 (0.38) CYP2D6KCNH2HRH3LMNASPR
SCHEMBL22468569 1.00 CYP2D6 (0.38) CYP2D6KCNH2HRH3LMNASPR
SCHEMBL4218523 0.84 SPR (0.47) SPRDPP8DPP7SMN1; SMN2
SCHEMBL22468571 0.84 ALDH1A1 (0.36) CYP2D6KCNH2HRH3SPRPDK2
SCHEMBL28405306 0.84 ATM (0.31)
SCHEMBL572692 0.82 CYP2D6 (0.39) CYP2D6KCNH2HRH3LMNAEPHX2
SCHEMBL22468413 0.81 SPR (0.35) CYP2D6KCNH2HRH3LMNASPR
SCHEMBL25341447 0.81 SPR (0.35) CYP2D6KCNH2HRH3LMNASPR
SCHEMBL19874798 0.80 SPR (0.33) CYP2D6KCNH2HRH3LMNASPR
SCHEMBL24766583 0.79 HPGD (0.49) ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN TEIJIN PHARMA LIMITED (JP) 2023-11-02 US disclosed
WO-2023171736-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE 帝人ファーマ株式会社 2023-09-14 WO disclosed
EP-4215519-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN Teijin Pharma Limited (JP) 2023-07-26 EP disclosed
CN-116075309-A Vitamin D derivatives having cyclic amine in side chain 帝人制药株式会社 2023-05-05 CN 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-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN VDR, CYP2R1, CYP24A1 CYP2D6 327/4885KCNH2 1563/4885HRH3 264/4885

“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.