SCHEMBL21739558

SCHEMBL21739558

CN1CCN(C(=O)OC2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
RECQL P46063 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
HTT P42858 1/20 0.38
PPP5C P53041 2/20 0.37
PPP2CA P67775 1/20 0.37

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
SCHEMBL22018450 0.87 CYP1A2 (0.46) HRH3CYP1A2TDP1TPSAB1TPSD1
SCHEMBL22018451 0.84 TPSAB1 (0.50) TPSAB1TPSD1TPSG1HTT
SCHEMBL21428432 0.84 LMNA (0.47) CYP1A2TDP1SMN1; SMN2TPSAB1TPSD1
SCHEMBL8262689 0.83 GAA (0.44) HRH3RECQLTSHRGPR119USP2
SCHEMBL31167957 0.82 HSD11B1 (0.46) HRH3GPR119TPSAB1TPSD1TPSG1
SCHEMBL19491339 0.82 CYP1A2 (0.42) HRH3RECQLTSHRCYP1A2TDP1
SCHEMBL21428419 0.82 LMNA (0.50) CYP1A2TDP1TPSAB1TPSD1TPSG1
SCHEMBL8266944 0.80 TSHR (0.55) HRH3RECQLTSHRCYP1A2USP2
SCHEMBL15219283 0.79 HTT (0.53) HRH3TPSAB1TPSD1TPSG1HTT
SCHEMBL4283947 0.79 TPSAB1 (0.51) HRH3CYP1A2TDP1TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US 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 (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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 HRH3 2481/4885RECQL 2777/4885TSHR 4520/4885

“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.