SCHEMBL23350040

SCHEMBL23350040

Cc1cnc(N2CCN(CCO[C@@H](C)C(C)C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ SIGMAR1 Q99720 6/20 0.42
▸ OGA O60502 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ DRD2 P14416 3/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL23919168 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SIGMAR1DRD2
SCHEMBL20463090 0.82 HDAC6 (0.53) SLC6A2SLC6A4SLC6A3SIGMAR1HDAC6
SCHEMBL26341182 0.81 SIGMAR1 (0.45) SLC6A2SLC6A4SLC6A3SIGMAR1HDAC6
SCHEMBL20234904 0.78 HRH3 (0.46) SLC6A2SLC6A4SLC6A3SIGMAR1HDAC6
SCHEMBL17972976 0.77 DHFR (0.49) SIGMAR1DRD2KDM4EDHFR
SCHEMBL27363701 0.77 HTR3A (0.45) SIGMAR1HDAC6CYP1A2CYP2C9DHFR
SCHEMBL27365699 0.77 SIGMAR1 (0.53) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL17973027 0.75 ALOX15 (0.45) SIGMAR1DHFRHTR1A
SCHEMBL19145298 0.75 MEN1 (0.53) SIGMAR1HDAC6DRD2KDM4ECYP1A2
SCHEMBL12156203 0.75 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 — — US 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-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL SLC6A2 4566/4885SLC6A4 4229/4885SLC6A3 4209/4885

“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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