SCHEMBL18173052

SCHEMBL18173052

COC(=O)c1ccc(CN(C(=O)OC(C)(C)C)C2CCC(CO)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 2/20 0.44
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
MC3R P41968 2/20 0.43
KDM1A O60341 2/20 0.41
HSD11B1 P28845 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CYP4A11 Q02928 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18173049 1.00 HDAC6 (0.44) HDAC6HDAC8HDAC3MC4RMC5R
SCHEMBL18617685 0.93 HDAC6 (0.49) HDAC6HDAC8HDAC3MC4RMC5R
SCHEMBL13267489 0.90 GPR119 (0.48) HDAC6HDAC8HDAC3KDM1AHSD11B1
SCHEMBL2659959 0.89 HDAC6 (0.46) HDAC6HDAC8HDAC3MC4RMC5R
SCHEMBL18172792 0.89 HDAC8 (0.43) HDAC6HDAC8HDAC3KDM1AHSD11B1
SCHEMBL18172790 0.89 HDAC8 (0.43) HDAC6HDAC8HDAC3KDM1AHSD11B1
SCHEMBL2659961 0.89 HDAC6 (0.46) HDAC6HDAC8HDAC3MC4RMC5R
SCHEMBL4080828 0.88 ALDH1A1 (0.49) HDAC6HDAC8HDAC3ALDH1A1GCGR
SCHEMBL4080825 0.88 ALDH1A1 (0.49) HDAC6HDAC8HDAC3ALDH1A1GCGR
SCHEMBL2401141 0.87 MEN1 (0.46) HDAC6HDAC8HDAC3KDM1AHSD11B1

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A HDAC6 96/4885HDAC8 44/4885HDAC3 34/4885

“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.