SCHEMBL1476777

SCHEMBL1476777

COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SCN3A Q9NY46 1/20 0.36
GRIN2B Q13224 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 2/20 0.34
P2RX7 Q99572 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR5 P51681 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPC6 Q9Y210 2/20 0.34

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
SCHEMBL1475003 0.88 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL1475371 0.82 ALDH1A1 (0.37) F2F10ALDH1A1RXFP1SCN3A
SCHEMBL5898600 0.80 GPR119 (0.40) F2F10ALDH1A1RXFP1SCN3A
SCHEMBL1477074 0.80 SIGMAR1 (0.43) ALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1476417 0.76 CHRNB4 (0.42) KCNH2
SCHEMBL1475264 0.73 SIGMAR1 (0.45) ALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1476076 0.72 SIGMAR1 (0.41) ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL1475515 0.72 CD274 (0.43) ALDH1A1RXFP1KDM4EMAPK1NPSR1
SCHEMBL1475386 0.72 PDCD1 (0.47) ALDH1A1RXFP1MAPK1NPSR1KMT2A
SCHEMBL1475282 0.72 CACNA1G (0.42) F2F10ALDH1A1GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 US 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 F2 295/4885F10 790/4885ALDH1A1 363/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 F2 1888/4885F10 1920/4885ALDH1A1 423/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 F2 295/4885F10 790/4885ALDH1A1 363/4885

“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.