SCHEMBL18172886

SCHEMBL18172886

CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
KDM1A O60341 11/20 0.49
TGFBR1 P36897 2/20 0.46
STS P08842 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
BRD3 Q15059 1/20 0.42

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
SCHEMBL18172884 1.00 KDM4E (0.54) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172892 1.00 KDM4E (0.54) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172889 1.00 KDM4E (0.54) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172576 0.89 KDM1A (0.60) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172579 0.89 KDM1A (0.60) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172678 0.88 KDM4E (0.55) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL18172681 0.88 KDM4E (0.55) KDM4EPKMKDM1ATGFBR1STS
SCHEMBL20106808 0.87 KDM1A (0.63) KDM4EPKMKDM1ASTSGPR119
SCHEMBL18182295 0.83 KDM1A (0.47) KDM4EPKMKDM1A
SCHEMBL18172574 0.83 KDM1A (0.58) KDM4EPKMKDM1AGPR119

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 5 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
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 KDM4E 19/4885PKM 377/4885KDM1A 2/4885

“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.