SCHEMBL21986741

SCHEMBL21986741

Cc1ccc2nnn(C3CCCCO3)c2c1CN

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ RET P07949 4/20 0.35
▸ PDE8B O95263 6/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL21986748 0.88 CYP4F2 (0.39) CYP4F2CYP4A11RETPDE8BGAA
SCHEMBL21986866 0.88 CYP4F2 (0.37) CYP4F2CYP4A11RETPDE8BGAA
SCHEMBL21986838 0.85 ALDH1A1 (0.35) CYP4F2CYP4A11RETMEN1KMT2A
SCHEMBL21986747 0.81 PDE8B (0.38) CYP4F2CYP4A11RETPDE8BGAA
SCHEMBL21986911 0.76 CYP4F2 (0.38) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL21986706 0.76 ALDH1A1 (0.35) CYP4F2CYP4A11ALDH1A1ATRRXRA
SCHEMBL21986862 0.75 CYP4F2 (0.33) CYP4F2CYP4A11PDE8BGAAMEN1
SCHEMBL23070283 0.75 LMNA (0.39) CYP4F2CYP4A11RETPDE8BGAA
SCHEMBL21986776 0.71 CYP4F2 (0.37) CYP4F2CYP4A11RETPDE8BGAA
SCHEMBL21986774 0.71 CYP4F2 (0.39) CYP4F2CYP4A11PDE8BGAAMEN1

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.

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