SCHEMBL1475449

SCHEMBL1475449

CC1(C(=O)Cc2ccccc2F)CCN(Cc2ncc[nH]c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
MCHR1 Q99705 1/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
PARP1 P09874 3/20 0.36
SIGMAR1 Q99720 4/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR8 P51685 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL12827750 0.90 CCR8 (0.35) CYP3A4CYP2D6CCR8KCNH2EGLN1
SCHEMBL1476247 0.89 MCHR1 (0.37) DPP4MCHR1POLBALDH1A1KDM4E
SCHEMBL1475438 0.88 EGLN1 (0.41) POLBALDH1A1KDM4EPARP1SIGMAR1
SCHEMBL1475069 0.80 SIGMAR1 (0.43) POLBALDH1A1KDM4ESIGMAR1KMT2A
SCHEMBL1475313 0.80 MCHR1 (0.39) MCHR1POLBALDH1A1KDM4ESIGMAR1
SCHEMBL12827517 0.79 CCR8 (0.33) CCR8KCNH2EGLN1
SCHEMBL1475574 0.79 KDM4E (0.37) DPP4POLBALDH1A1KDM4EPARP1
SCHEMBL1475865 0.78 SIGMAR1 (0.42) POLBSIGMAR1MEN1KMT2A
SCHEMBL12827753 0.77 ALDH1A1 (0.48) ALDH1A1PARP1MEN1KMT2ATNKS
SCHEMBL1475654 0.77 EGLN1 (0.41) POLBALDH1A1KDM4ESIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP claimed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US claimed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP claimed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 US claimed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 DPP4 3282/4885MCHR1 1929/4885POLB 2816/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 DPP4 3401/4885MCHR1 1313/4885POLB 2535/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 DPP4 3282/4885MCHR1 1929/4885POLB 2816/4885

“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.