SCHEMBL21274635

SCHEMBL21274635

COCCNc1ccc(CCN)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HAT1 O14929 1/20 0.44
EP300 Q09472 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
HDAC1 Q13547 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
FYN P06241 3/20 0.39
MKNK1 Q9BUB5 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
APEX1 P27695 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
SCHEMBL12953802 0.88 HCAR3 (0.56) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL14416656 0.83 HCAR3 (0.57) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL28173145 0.82 HCAR3 (0.58) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL1569893 0.81 HCAR3 (0.60) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL1569897 0.81 HCAR3 (0.60) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL2791509 0.81 HCAR3 (0.59) HCAR3ALDH1A1KDM4ETLR7FYN
SCHEMBL31588400 0.81 HCAR3 (0.59) HCAR3ALDH1A1KDM4ETLR7FYN
SCHEMBL13304709 0.80 HCAR3 (0.55) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL10026856 0.79 HCAR3 (0.54) HCAR3ALDH1A1KDM4EHAT1EP300
SCHEMBL21274631 0.78 HCAR3 (0.52) HCAR3ALDH1A1KDM4EHAT1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414384-B2 P300/CBP hat inhibitors CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
EP-3752250-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2022-08-03 EP disclosed
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
EP-3752250-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
WO-2019161157-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMCEUTICALS, INC. (US) 2019-08-22 WO disclosed
WO-2019161157-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMCEUTICALS, INC. (US) 2019-08-22 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-11414384-B2 P300/CBP hat inhibitors EP300, HDAC1, KAT2A HCAR3 2405/4885ALDH1A1 1211/4885KDM4E 807/4885
US-20210061762-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A HCAR3 2405/4885ALDH1A1 1211/4885KDM4E 807/4885

“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.