SCHEMBL21740358

SCHEMBL21740358

CN1CCN2C(=O)CC[C@H]2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SRD5A1 P18405 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL23525931 1.00 HTR2B (0.41) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL7874089 1.00 HTR2B (0.41) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL21739494 0.89 CHRNB2 (0.45) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL21739324 0.89 CHRNB2 (0.45) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL12267931 0.89 CHRNB2 (0.45) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL15185053 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12309469 0.81 KDM5A (0.42) HTR2BHTR2AHTR2CCHRNB2CHRNB4
SCHEMBL10210762 0.79 JAK2 (0.41) HTR2BCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21946382 0.79 JAK2 (0.41) HTR2BCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10210786 0.79 JAK2 (0.41) HTR2BCHRNB2CHRNB4CHRNA3CHRNA7

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-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
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO 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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 HTR2B 4403/4885HTR2A 4335/4885HTR2C 4192/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 HTR2B 3075/4885HTR2A 2197/4885HTR2C 2280/4885

“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.