SCHEMBL20528378

SCHEMBL20528378

CC(C)(C)[Si](C)(C)O[C@@H]1CCOc2cc(Br)c(F)cc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.32
KDM1B Q8NB78 2/20 0.32
KCNH2 Q12809 2/20 0.31
ADRA2A P08913 2/20 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
SCHEMBL20528379 1.00 KDM1A (0.32) KDM1AKDM1BKCNH2ADRA2A
SCHEMBL20528577 0.81 SCN9A (0.32)
SCHEMBL20449116 0.81 SCN9A (0.32)
SCHEMBL18106445 0.80 KDM1A (0.34) KDM1AKDM1BKCNH2
SCHEMBL20449128 0.79 ADRA2A (0.47) ADRA2A
SCHEMBL20449129 0.79 ADRA2A (0.47) ADRA2A
SCHEMBL22473503 0.75 ADRA2A (0.40) ADRA2A
SCHEMBL8257560 0.74 ADRA2A (0.34) ADRA2A
SCHEMBL31372083 0.73 HTR1A (0.42)
SCHEMBL4152363 0.72 SSTR4 (0.38) KCNH2ADRA2A

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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KDM1A 2269/4885KDM1B 1545/4885KCNH2 765/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB KDM1A 2269/4885KDM1B 1545/4885KCNH2 765/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KDM1A 2269/4885KDM1B 1545/4885KCNH2 765/4885

“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.