SCHEMBL20008970

SCHEMBL20008970

CC(C)N1CCN(Cc2n[nH]c3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.42
BCHE P06276 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC2A1 P11166 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TACR2 P21452 3/20 0.40
ACHE P22303 1/20 0.40
HTR6 P50406 1/20 0.40
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
TACR3 P29371 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAOB P27338 2/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL20012646 0.84 KMT2A (0.45) BCHECYP2D6ACHEHTR6FGFR1
SCHEMBL18080912 0.84 HTR6 (0.56) PARP1BCHECYP2D6ACHEHTR6
SCHEMBL6977832 0.82 KDM4E (0.53) BCHECYP2D6HRH3ACHEKDM4E
SCHEMBL9963409 0.81 SLC6A9 (0.38) PARP1ACHEFGFR1FLT1KDM4E
SCHEMBL8630974 0.81 ACHE (0.57) ACHEKDM4EALDH1A1KMT2AGAA
SCHEMBL1514899 0.81 SIGMAR1 (0.49) BCHECYP2D6ACHEHTR6FGFR1
SCHEMBL8627719 0.78 DRD4 (0.58) KDM4EALDH1A1TDP1
SCHEMBL8797972 0.77 HTR7 (0.49) KDM4EALDH1A1GAA
SCHEMBL8797857 0.77 LMNA (0.62) GAA
SCHEMBL14423905 0.77 PARP1 (0.44) PARP1HRH3KDM4EALDH1A1PDPK1

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 PARP1 671/4885BCHE 3469/4885CYP2D6 4116/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PARP1 671/4885BCHE 3469/4885CYP2D6 4116/4885

“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.