SCHEMBL21271685

SCHEMBL21271685

CC(C)N1CCN(c2ccc(B(O)O)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.46
▸ RET P07949 1/20 0.42
▸ OGA O60502 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HDAC4 P56524 1/20 0.41

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
SCHEMBL31505790 1.00 HRH3 (0.46) HRH3RETOGAKDM4EALDH1A1
SCHEMBL2562848 0.83 HTR3A (0.47) HRH3KDM4EALDH1A1
SCHEMBL29516406 0.83 HTR3A (0.47) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL19208199 0.81 HTR3A (0.46) HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29781926 0.81 HTR3A (0.46) HRH3KDM4EALDH1A1
SCHEMBL24504404 0.81 RET (0.45) RETKDM4EALDH1A1
SCHEMBL29377204 0.80 UBE2T (0.51) KDM4EALDH1A1MAPT
SCHEMBL676085 0.80 UBE2T (0.51) KDM4EALDH1A1MAPT
SCHEMBL12659925 0.80 UBE2T (0.36) KDM4EALDH1A1MAPT
SCHEMBL9363368 0.80 KDM4E (0.57) HRH3OGAKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114294-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-04-13 — — US disclosed
US-11510920-B2 Compositions and methods for treating EZH2-mediated cancer ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-11-29 — — US disclosed
US-20200338070-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2020-10-29 — — US disclosed
US-20190255041-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-08-22 — — 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-20200338070-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER EZH2, EZH1, EED HRH3 1896/4885RET 1131/4885OGA 1578/4885
US-11510920-B2 Compositions and methods for treating EZH2-mediated cancer EZH2, EZH1, EED HRH3 1896/4885RET 1131/4885OGA 1578/4885
US-20230114294-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER EZH2, EZH1, EED HRH3 1896/4885RET 1131/4885OGA 1578/4885
US-20190255041-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER EZH2, EZH1, EED HRH3 1896/4885RET 1131/4885OGA 1578/4885

“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.

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