SCHEMBL1408641

SCHEMBL1408641

OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@H]1CCCN1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.68
RAB9A P51151 2/20 0.68
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 1/20 0.68
CYP1A2 P05177 1/20 0.68
HPGD P15428 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
USP2 O75604 1/20 0.34
LTA4H P09960 1/20 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
SCHEMBL9229833 1.00 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL1408642 1.00 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL12587742 0.86 CYP1A2 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL22260342 0.83 RAB9A (0.51) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL25973580 0.83 RAB9A (0.51) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL10326845 0.83 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL9230454 0.83 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL9227056 0.83 MAPK1 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL10326921 0.83 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2
SCHEMBL9230937 0.83 CYP2D6 (0.68) CYP2D6RAB9AKDM4ENPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 US disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-07 US disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 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 (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-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY SNRPB2, SNRPA1, DUT CYP2D6 2537/4885RAB9A 3075/4885KDM4E 2956/4885

“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.