SCHEMBL20008964

SCHEMBL20008964

CC(C)OC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAOB P27338 2/20 0.56
ROCK1 Q13464 5/20 0.50
ROCK2 O75116 3/20 0.50
CCR2 P41597 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL20008975 0.91 ACHE (0.53) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21064727 0.88 BCHE (0.57) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23582968 0.85 BCHE (0.61) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23582969 0.85 BCHE (0.61) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29921060 0.85 FUCA1 (0.54) BCHEMAOBKDM4EACHE
SCHEMBL18081018 0.84 BCHE (0.61) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20012547 0.81 BCHE (0.62) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13411424 0.81 CYP2D6 (0.60) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10281961 0.81 CYP2D6 (0.60) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19844795 0.81 CYP2D6 (0.60) BCHECYP1A2CYP3A4CYP2D6CYP2C19

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-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 BCHE 3469/4885CYP1A2 4326/4885CYP3A4 4379/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 BCHE 3469/4885CYP1A2 4326/4885CYP3A4 4379/4885

“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.