SCHEMBL20008989

SCHEMBL20008989

CC(C)N1CCN(C(=O)Cc2ccccn2)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.47
PRKCB P05771 1/20 0.44
PARP1 P09874 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
GRM1 Q13255 4/20 0.41
LIMK2 P53671 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL20012519 0.84 IDH1 (0.45) IDH1PRKCBPARP1HRH3GRM1
SCHEMBL18705021 0.81 KDM4E (0.55) HRH3ALDH1A1CNR1KDM4E
SCHEMBL9963404 0.77 LMNA (0.45) HRH3ALDH1A1LMNAKDM4E
SCHEMBL9963401 0.77 LMNA (0.45) HRH3ALDH1A1LMNAKDM4E
SCHEMBL26243687 0.77 PRKCB (0.42) PRKCBHRH3GRM1LMNA
SCHEMBL24711724 0.72 SMN1; SMN2 (0.44) IDH1HRH3CYP2D6
SCHEMBL9963407 0.72 LMNA (0.45) HRH3ALDH1A1LMNASIGMAR1
SCHEMBL20008967 0.72 SMO (0.50)
SCHEMBL26123795 0.72 L3MBTL1 (0.50) IDH1PARP1HRH3GRM1ALDH1A1
SCHEMBL27883939 0.71 IDH1 (0.48) IDH1PARP1GRM1LIMK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 IDH1 2456/4885PRKCB 1196/4885PARP1 671/4885

“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.