SCHEMBL28329043

SCHEMBL28329043

CN1CCN(CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.58
LIPG Q9Y5X9 6/20 0.58
SIGMAR1 Q99720 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
F11 P03951 2/20 0.44
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ESR2 Q92731 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL28327818 0.92 LPL (0.58) LPLLIPGSIGMAR1F11KCNJ1
SCHEMBL5256283 0.90 LPL (0.60) LPLLIPGSIGMAR1F11KCNJ1
SCHEMBL1354431 0.90 LPL (0.59) LPLLIPGSIGMAR1CYP1A2F11
SCHEMBL28327797 0.88 LPL (0.58) LPLLIPGSIGMAR1CYP1A2F11
SCHEMBL586178 0.87 LPL (0.56) LPLLIPGSIGMAR1F11ESR2
SCHEMBL429722 0.87 LMNA (0.53) LPLLIPGF11ESR2
SCHEMBL28621374 0.86 LIPG (0.52) LPLLIPGSIGMAR1F11KCNJ1
Hydrochloric Acid SCHEMBL27248303 0.86 LPL (0.55) LPLLIPGSIGMAR1F11ESR2
SCHEMBL24265977 0.85 LIPG (0.54) LPLLIPGSIGMAR1CYP2D6F11
SCHEMBL28327814 0.84 LIPG (0.50) LPLLIPGF11KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
CN-110506044-B BRD4 inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
CN-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-110506044-A A kind of BRD4 inhibitor and its preparation and application SHANGHAI INST MATERIA MEDICA CAS 2019-11-26 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-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP LPL 3336/4885LIPG 2053/4885SIGMAR1 3889/4885

“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.