SCHEMBL3629686

SCHEMBL3629686

O=Cc1c(F)cc(N(Cc2ccccc2)Cc2ccccc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 2/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KCNA5 P22460 1/20 0.39
CA2 P00918 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
CYP1A2 P05177 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
SCHEMBL23878118 0.83 TSPO (0.47) TDP1TSHRRAB9AALDH1A1SMN1; SMN2
SCHEMBL27978827 0.82 CYP2C19 (0.46) NR3C1CRHBPCRHR2CYP2C19TDP1
SCHEMBL6009444 0.80 CRHBP (0.47) NR3C1CRHBPCRHR2TDP1PTPN1
SCHEMBL6009438 0.80 CRHBP (0.47) NR3C1CRHBPCRHR2TDP1PTPN1
SCHEMBL24132179 0.80 CYP2C19 (0.51) NR3C1CRHBPCRHR2CYP2C19PTPN1
SCHEMBL24132784 0.80 CYP2C19 (0.43) NR3C1CRHBPCRHR2CYP2C19TDP1
SCHEMBL13322100 0.77 CYP2C19 (0.47) NR3C1CRHBPCRHR2CYP2C19TDP1
SCHEMBL12346186 0.77 CYP2C19 (0.56) NR3C1CRHBPCRHR2CYP2C19PTPN1
SCHEMBL2884029 0.77 CRHBP (0.53) NR3C1CRHBPCRHR2CYP2C19TDP1
SCHEMBL3632685 0.76 CRHBP (0.46) NR3C1CRHBPCRHR2CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 NR3C1 47/4885CRHBP 1090/4885CRHR2 944/4885

“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.