SCHEMBL4131965

SCHEMBL4131965

O=C(O)N(Cc1ccc2ccc(=O)[nH]c2n1)C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
PARP1 P09874 1/20 0.35
DCUN1D1 Q96GG9 5/20 0.34
UBE2M P61081 3/20 0.34
HTR2A P28223 4/20 0.34
RIPK1 Q13546 1/20 0.33
GCGR P47871 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
PDK2 Q15119 2/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
RBP4 P02753 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2C P28335 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9980967 0.87 HSD11B1 (0.38) PARP1DCUN1D1UBE2MHTR2APDK2
SCHEMBL9980979 0.84 UBE2M (0.31) DCUN1D1UBE2MHTR2ATRPV1
SCHEMBL4142075 0.81 PARP1 (0.41) KDM1APARP1TRPV1CCNA2CDK2
SCHEMBL4136018 0.78 HTR1A (0.34) HTR2A
SCHEMBL5040313 0.69 DCUN1D1 (0.38) DCUN1D1UBE2MHTR2ARIPK1CYP1A2
SCHEMBL12081174 0.67 HTR2A (0.35) DCUN1D1UBE2MHTR2ARIPK1PDK2
SCHEMBL5041734 0.67 LMNA (0.48) KDM1ATRPV1CYP1A2
SCHEMBL9981734 0.66 HSD11B1 (0.36) HTR2APDK2
SCHEMBL5036967 0.66 UBE2M (0.52) DCUN1D1UBE2M
SCHEMBL5036916 0.66 OPRM1 (0.45) DCUN1D1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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 (2 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 KDM1A 1344/4885PARP1 4020/4885DCUN1D1 856/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KDM1A 1314/4885PARP1 4135/4885DCUN1D1 733/4885

“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.