SCHEMBL1108872

SCHEMBL1108872

Cn1c(N2CCC(Oc3ccccc3C(=O)O)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NR1I2 O75469 3/20 0.37
HSD11B1 P28845 3/20 0.37
EPHX2 P34913 1/20 0.37
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD O00767 3/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL1108875 0.92 SCN1A (0.40) SCN1ASCN2ASCN3ANR1I2HSD11B1
SCHEMBL1108854 0.85 SCD (0.50) NR1I2HSD11B1SCD
SCHEMBL1108869 0.84 SRD5A1 (0.47) NR1I2HSD11B1EPHX2SCDALDH1A1
SCHEMBL1108889 0.83 HRH1 (0.44) NR1I2HSD11B1
SCHEMBL1108871 0.82 OPRK1 (0.43) NR1I2HSD11B1EPHX2SCD
SCHEMBL1108868 0.81 OPRM1 (0.40) NR1I2HSD11B1
SCHEMBL1108876 0.81 HSD11B1 (0.45) HSD11B1SMN1; SMN2
SCHEMBL1108861 0.80 SCD (0.43) NR1I2HSD11B1SCD
SCHEMBL1108870 0.80 HSD11B1 (0.41) HSD11B1EPHX2ALDH1A1
SCHEMBL1108829 0.80 NOTUM (0.41) NR1I2HSD11B1KDM4EALDH1A1

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-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 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 (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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 SCN1A 1142/4885SCN2A 2825/4885SCN3A 964/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 SCN1A 2756/4885SCN2A 3461/4885SCN3A 1668/4885

“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.