SCHEMBL21025893

SCHEMBL21025893

CCCOCC1CCN(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL12026496 0.85
SCHEMBL27027483 0.82 DRD2 (0.31) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL21933632 0.81 HRH3 (0.33) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL12886729 0.79 NCF1 (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL16108499 0.77 SMN1; SMN2 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL127998 0.77
SCHEMBL12166776 0.76 HTT (0.31) ALDH1A1
SCHEMBL21933629 0.76 HRH3 (0.36) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14965032 0.76 SLC22A1 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14965200 0.76 CYP2D6 (0.40) HTR2AHTR2BSIGMAR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2019-10-03 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (3 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 DRD2 4708/4885HTR2A 3606/4885HTR2C 3751/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 DRD2 3895/4885HTR2A 4021/4885HTR2C 4128/4885
US-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL DRD2 4440/4885HTR2A 3022/4885HTR2C 3690/4885

“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.