SCHEMBL21664465

SCHEMBL21664465

CC(C)(C)NCc1cccc(CCCOCCCN2CCCC(NOC(C)(C)C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.42
KAT2B Q92831 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL20128699 0.85 HRH3 (0.43) HRH3SIGMAR1
SCHEMBL24654227 0.83 CHRNB4 (0.42) HRH3
SCHEMBL20234232 0.83 HRH3 (0.61) HRH3SIGMAR1
SCHEMBL23350037 0.78 HRH3 (0.44) HRH3SIGMAR1
SCHEMBL21899199 0.70 SLC6A2 (0.46) HRH3
SCHEMBL20128705 0.69 IDO1 (0.35)
SCHEMBL20463266 0.68 HRH3 (0.48) HRH3SIGMAR1
SCHEMBL20129354 0.68 HRH3 (0.35) HRH3SIGMAR1
SCHEMBL20317557 0.68 KDM4E (0.44) HRH3
SCHEMBL20233912 0.68 HRH3 (0.50) HRH3SIGMAR1

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 US disclosed
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 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 3459/4885KAT2B 1037/4885SIGMAR1 3355/4885
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN HRH3 3687/4885KAT2B 2504/4885SIGMAR1 4091/4885

“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.