SCHEMBL1474639

SCHEMBL1474639

C[C@@H]1C[C@@H](C(=O)Cc2ccccc2F)CCN1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
PLG P00747 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KCNH2 Q12809 3/20 0.36
SCN3A Q9NY46 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1474642 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL1474637 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL14407973 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL12827509 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL12748548 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1PLGSIGMAR1NPC1
Hydrochloric Acid SCHEMBL1474713 0.99 ALDH1A1 (0.40) ALDH1A1MAPK1PLGSIGMAR1NPC1
Hydrochloric Acid SCHEMBL1474711 0.99 ALDH1A1 (0.40) ALDH1A1MAPK1PLGSIGMAR1NPC1
Hydrochloric Acid SCHEMBL1474710 0.99 ALDH1A1 (0.40) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL6791316 0.86 PLG (0.42) ALDH1A1MAPK1PLGSIGMAR1NPC1
SCHEMBL6791312 0.86 PLG (0.42) ALDH1A1MAPK1PLGSIGMAR1NPC1

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 8 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-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
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 ALDH1A1 363/4885MAPK1 1840/4885PLG 3686/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 ALDH1A1 423/4885MAPK1 1036/4885PLG 4231/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 ALDH1A1 363/4885MAPK1 1840/4885PLG 3686/4885

“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.