SCHEMBL21421763

SCHEMBL21421763

CC(C)(C)O[C@H]1C[C@H](OCCN2CCN(c3ccc(C(C)(C)C)cn3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ RET P07949 2/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR7 P34969 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
SCHEMBL26972357 0.85 RET (0.37) HRH3DRD2DRD1DRD5DRD3
SCHEMBL19959005 0.81 HRH3 (0.53) HRH3KDM4EDRD2DRD1DRD5
SCHEMBL26972346 0.75 HRH3 (0.49) HRH3KDM4EDRD2DRD1DRD5
SCHEMBL14349615 0.73 KDM4E (0.52) HRH3KDM4EDRD4GRM2HPGD
SCHEMBL21421582 0.72 HRH3 (0.49) HRH3KDM4EDRD2DRD1DRD5
SCHEMBL21673537 0.72 AOC3 (0.35) HRH3DRD2DRD1DRD5DRD3
SCHEMBL21933624 0.72 HRH3 (0.51) HRH3DRD2DRD1DRD5DRD3
SCHEMBL10203195 0.71 KDM2B (0.49) HRH3KDM4ERETDRD4GRM2
SCHEMBL2733014 0.71 SMN1; SMN2 (0.50) KDM4EHPGDSMN1; SMN2
SCHEMBL21421758 0.70 NPC1 (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 — — US disclosed
US-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2019-10-03 — — 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 (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-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL HRH3 3459/4885KDM4E 2143/4885DRD2 4440/4885
US-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL HRH3 3459/4885KDM4E 2143/4885DRD2 4440/4885

“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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