SCHEMBL21986748

SCHEMBL21986748

Cc1ccc2nnn(C3CCCCO3)c2c1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ RET P07949 1/20 0.33
▸ HCAR3 P49019 3/20 0.33
▸ PDE8B O95263 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ATR Q13535 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TP53 P04637 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
SCHEMBL21986866 0.88 CYP4F2 (0.37) CYP4F2CYP4A11RETHCAR3PDE8B
SCHEMBL21986741 0.88 CYP4F2 (0.37) CYP4F2CYP4A11RETPDE8BRXRA
SCHEMBL21986706 0.85 ALDH1A1 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21986774 0.81 CYP4F2 (0.39) CYP4F2CYP4A11HCAR3PDE8BRXRA
SCHEMBL21986911 0.78 CYP4F2 (0.38) CYP4F2CYP4A11HCAR3RXRARXRB
SCHEMBL21986838 0.76 ALDH1A1 (0.35) CYP4F2CYP4A11RETALDH1A1KMT2A
SCHEMBL21986817 0.75 CYP4F2 (0.35) CYP4F2CYP4A11RAB9ANPC1ALDH1A1
SCHEMBL23070283 0.72 LMNA (0.39) CYP4F2CYP4A11RETHCAR3PDE8B
SCHEMBL21986776 0.71 CYP4F2 (0.37) CYP4F2CYP4A11RETPDE8BRXRA
SCHEMBL21986747 0.71 PDE8B (0.38) CYP4F2CYP4A11RETPDE8BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — EP 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885RET 2101/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885RET 2101/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885RET 2101/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885RET 2101/4885

“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.

Send feedback