SCHEMBL21421777

SCHEMBL21421777

CC(C)CC1CCN([C@H]2C[C@H](CN3CCC(CCOC(C)C)CC3)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL21421673 0.86 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL21673387 0.85 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL21673754 0.79 — —
SCHEMBL25600523 0.78 KDM1A (0.38) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL23204659 0.77 OPRM1 (0.31) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL23205742 0.77 OPRM1 (0.31) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL21673391 0.76 SLC6A3 (0.34) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL29316815 0.75 HRH3 (0.37) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL23204666 0.74 HTR2A (0.32) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL23204660 0.74 HTR2A (0.32) HTR2AHTR2CHTR2BSIGMAR1POLB

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-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 (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-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL SLC6A2 4294/4885SLC6A4 4476/4885SLC6A3 4257/4885

“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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