SCHEMBL20008992

SCHEMBL20008992

CC(=O)N1CCN(C(C)C)C[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
SLC6A9 P48067 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.33
PRKCB P05771 1/20 0.33
BRD4 O60885 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL20009022 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SLC6A9TSHRMAPTPOLB
SCHEMBL16869402 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SLC6A9TSHRMAPTPOLB
SCHEMBL23876806 0.83 PIK3CD (0.40) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL20008949 0.80 HRH3 (0.38) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL24711535 0.80 SMN1; SMN2 (0.37) SMN1; SMN2SLC6A9TSHRMAPTPOLB
SCHEMBL24711925 0.80 TSHR (0.58) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL24711724 0.80 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL21150507 0.79 TSHR (0.39) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL22185432 0.79 JAK3 (0.39) SMN1; SMN2SLC6A9TSHRMAPTHRH3
SCHEMBL23569701 0.79 JAK3 (0.39) SMN1; SMN2SLC6A9TSHRMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
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 (4 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 SMN1; SMN2 176/4885SLC6A9 4172/4885TSHR 1817/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SMN1; SMN2 749/4885SLC6A9 3916/4885TSHR 4520/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 SMN1; SMN2 176/4885SLC6A9 4172/4885TSHR 1817/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SMN1; SMN2 2240/4885SLC6A9 4796/4885TSHR 2768/4885

“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.