SCHEMBL25313873

SCHEMBL25313873

COC(C)(C)[C@H]1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL17400555 1.00 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL8465048 1.00 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
Hydrochloric Acid SCHEMBL25311522 0.98 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
Hydrochloric Acid SCHEMBL17386571 0.98 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
Hydrochloric Acid SCHEMBL25311013 0.98 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL16297547 0.93 KDM4E (0.31) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL24121363 0.77 KDM4E (0.33) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL15187934 0.77 KDM4E (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10018110 0.77 KDM4E (0.33) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL15187935 0.77 KDM4E (0.36) KDM4ENPC1CYP1A2CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195488-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE TEIJIN PHARMA LIMITED (JP) 2025-06-19 US disclosed
CN-119451681-A Medicament containing vitamin D derivative or pharmaceutically acceptable salt or solvate thereof for use in combination with immunomodulatory substance 帝人制药株式会社 2025-02-14 CN disclosed
EP-4491185-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE Teijin Pharma Limited (JP) 2025-01-15 EP disclosed
CN-119241414-A Vitamin D derivatives having cyclic amine in side chain 帝人制药株式会社 2025-01-03 CN disclosed
WO-2024024935-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT 第一三共株式会社 2024-02-01 WO disclosed
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
WO-2022059684-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN 帝人ファーマ株式会社 2022-03-24 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 (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-20250195488-A1 MEDICINE CONTAINING VITAMIN D DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF, USED IN COMBINATION WITH IMMUNOMODULATORY SUBSTANCE VDR, CYP24A1, AQP4 KDM4E 1262/4885NPC1 789/4885CYP1A2 2782/4885
US-20230348376-A1 VITAMIN D DERIVATIVE HAVING CYCLIC AMINE IN SIDE CHAIN VDR, CYP2R1, CYP24A1 KDM4E 1956/4885NPC1 411/4885CYP1A2 960/4885

“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.