SCHEMBL6403172

SCHEMBL6403172

CC(C)(C)OC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
PKM P14618 1/20 0.60
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.46
TGFBR1 P36897 3/20 0.45
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
STS P08842 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KDM1A O60341 1/20 0.43
GNRHR P30968 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
SCHEMBL3104385 0.92 KDM4E (0.52) KDM4EPKMEPHX1HPGDSTS
SCHEMBL12046261 0.92 KDM4E (0.52) KDM4EPKMEPHX1HPGDSTS
SCHEMBL3089931 0.92 KDM4E (0.52) KDM4EPKMEPHX1HPGDSTS
SCHEMBL24853346 0.90 KDM4E (0.64) KDM4EPKMEPHX1HPGDTGFBR1
SCHEMBL12965743 0.88 KDM4E (0.50) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL14206765 0.84 ACKR3 (0.54) KDM4EPKMSMN1; SMN2KDM1A
SCHEMBL3957022 0.84 ACKR3 (0.54) KDM4EPKMSMN1; SMN2KDM1A
SCHEMBL3957032 0.84 ACKR3 (0.54) KDM4EPKMSMN1; SMN2KDM1A
SCHEMBL6152939 0.84 KDM4E (0.68) KDM4EPKMEPHX1HPGDTGFBR1
SCHEMBL1245476 0.84 KDM4E (0.64) KDM4EPKMEPHX1HPGDTGFBR1

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-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed
WO-2012135113-A2 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-04 WO disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885EPHX1 804/4885

“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.