SCHEMBL18172850

SCHEMBL18172850

COC(=O)c1ccc(CN2CCC(=O)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
MAPK1 P28482 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CHKA P35790 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PRKAA2 P54646 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17645754 0.85 CHKA (0.55) PARP1MAPK1HRH3ALDH1A1NPSR1
SCHEMBL31003833 0.84 HIF1A (0.58) MAPK1ALDH1A1NPSR1KMT2AHIF1A
SCHEMBL2249598 0.84 HIF1A (0.58) MAPK1ALDH1A1NPSR1KMT2AHIF1A
SCHEMBL27747238 0.83 P4HTM (0.51) HRH3ALDH1A1KMT2AMEN1ATM
SCHEMBL18172813 0.83 CD274 (0.50) PARP1MAPK1HRH3ALDH1A1NPSR1
SCHEMBL31725234 0.82 HRH3 (0.46) PARP1MAPK1HRH3ALDH1A1NPSR1
SCHEMBL16130131 0.79 CHKA (0.60) MAPK1ALDH1A1KMT2AMEN1ATM
SCHEMBL22675450 0.79 PDCD1 (0.47) PARP1MAPK1KMT2APDCD1CD274
SCHEMBL22675567 0.79 PDCD1 (0.47) PARP1MAPK1KMT2APDCD1CD274
SCHEMBL31373309 0.77 HRH3 (0.53) PARP1MAPK1HRH3ALDH1A1KMT2A

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 6 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
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
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 PARP1 224/4885MAPK1 1481/4885HRH3 982/4885

“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.