SCHEMBL5577937

SCHEMBL5577937

FC(F)(F)c1cccc(CN2CC[CH]CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ALDH1A1 P00352 2/20 0.74
GAA P10253 2/20 0.74
LMNA P02545 2/20 0.71
FAAH O00519 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
POLB P06746 1/20 0.50
PHGDH O43175 1/20 0.49
CYP3A4 P08684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
OPRL1 P41146 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL2097321 0.88 ALDH1A1 (0.57) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4244138 0.87 ALDH1A1 (0.97) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL30341002 0.85 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4235961 0.85 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4240373 0.83 ALDH1A1 (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL6928385 0.83 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL1761029 0.83 ALDH1A1 (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL28599486 0.83 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL29671377 0.83 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL2093612 0.83 KDM4E (0.72) KDM4EALDH1A1GAALMNAFAAH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 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 (4 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885ALDH1A1 3946/4885GAA 2009/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR KDM4E 4438/4885ALDH1A1 3946/4885GAA 2009/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA KDM4E 4866/4885ALDH1A1 3567/4885GAA 599/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 KDM4E 2148/4885ALDH1A1 2561/4885GAA 4658/4885

“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.