SCHEMBL20008975

SCHEMBL20008975

CC(C)OC1CCN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
HRH3 Q9Y5N1 2/20 0.51
BCHE P06276 3/20 0.49
BACE1 P56817 2/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CCR3 P51677 1/20 0.47
MCHR1 Q99705 2/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL20008964 0.91 BCHE (0.57) ACHEBCHECYP1A2CYP3A4CYP2D6
SCHEMBL29921060 0.87 FUCA1 (0.54) ACHEHRH3BCHE
SCHEMBL4512639 0.83 LTA4H (0.60) ACHEBCHEBACE1SMN1; SMN2GAA
SCHEMBL3271398 0.83 LTA4H (0.60) ACHEBCHEBACE1SMN1; SMN2GAA
SCHEMBL2608879 0.82 PRMT5 (0.58) ACHEHRH3BCHEBACE1PRMT5
Hydrochloric Acid SCHEMBL18038825 0.81 LTA4H (0.58) ACHEBCHEBACE1SMN1; SMN2GAA
SCHEMBL2614397 0.80 ACHE (0.54) ACHEBCHEBACE1PRMT5WDR77
SCHEMBL7276334 0.80 ACHE (0.54) ACHEBCHEBACE1PRMT5WDR77
SCHEMBL14218548 0.80 CYP1A2 (0.55) ACHEHRH3BCHEBACE1PRMT5
SCHEMBL13005299 0.80 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4

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 ACHE 4038/4885HRH3 203/4885BCHE 3469/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 ACHE 4038/4885HRH3 203/4885BCHE 3469/4885

“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.