SCHEMBL18172813

SCHEMBL18172813

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.50
PDCD1 Q15116 5/20 0.50
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GSK3B P49841 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL22675567 0.93 PDCD1 (0.47) CD274PDCD1KMT2AKDM4EMAPK1
SCHEMBL22675450 0.93 PDCD1 (0.47) CD274PDCD1KMT2AKDM4EMAPK1
SCHEMBL17645754 0.84 CHKA (0.55) KMT2AALDH1A1MEN1MAPK1HRH3
SCHEMBL31003833 0.83 HIF1A (0.58) KMT2ARAB9AALDH1A1KDM4EMAPK1
SCHEMBL2249598 0.83 HIF1A (0.58) KMT2ARAB9AALDH1A1KDM4EMAPK1
SCHEMBL18172850 0.83 PARP1 (0.49) CD274PDCD1KMT2AALDH1A1MEN1
SCHEMBL31725234 0.81 HRH3 (0.46) CD274PDCD1KMT2AALDH1A1MEN1
SCHEMBL19859015 0.80 KDM4E (0.68) KMT2ARAB9AALDH1A1MEN1CYP2D6
SCHEMBL18291674 0.76 RAB9A (0.54) CD274PDCD1KMT2ARAB9AALDH1A1
SCHEMBL3317135 0.76 PDCD1 (0.48) CD274PDCD1ALDH1A1PRKAB2PRKAG1

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 CD274 4276/4885PDCD1 3702/4885KMT2A 26/4885

“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.