SCHEMBL1108798

SCHEMBL1108798

Cn1c(C2(c3ccccc3)CC2)nnc1[C@H]1CC[C@H](C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
OPRD1 P41143 1/20 0.39
HSD11B1 P28845 6/20 0.38
PKM P14618 1/20 0.36
OPRM1 P35372 1/20 0.36
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
TNK2 Q07912 1/20 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
SCHEMBL1108796 0.91 ALDH1A1 (0.43) HSD17B10ALDH1A1ALOX15OPRD1HSD11B1
SCHEMBL1108792 0.86 ALDH1A1 (0.40) HSD17B10ALDH1A1ALOX15HSD11B1TNK2
SCHEMBL1108708 0.81 OPRD1 (0.45) HSD17B10ALDH1A1ALOX15OPRD1HSD11B1
SCHEMBL1108790 0.81 HSD11B1 (0.46) ALDH1A1HSD11B1NR1I2
SCHEMBL1108791 0.81 ALDH1A1 (0.40) HSD17B10ALDH1A1ALOX15HSD11B1PKM
SCHEMBL1108841 0.81 ALDH1A1 (0.49) ALDH1A1OPRD1PKMOPRM1CYP2C19
SCHEMBL1108714 0.79 MEN1 (0.45) HSD11B1OPRM1NR1I2
SCHEMBL1108808 0.73 HSD11B1 (0.54) HSD11B1OPRM1NR1I2PIK3CDPIK3R1
SCHEMBL1108786 0.73 ALDH1A1 (0.40) ALDH1A1OPRD1HSD11B1OPRM1NR1I2
SCHEMBL1108716 0.73 MALT1 (0.44) OPRD1HSD11B1OPRM1NR1I2

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 6 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-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

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 HSD17B10 24/4885ALDH1A1 169/4885ALOX15 266/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD17B10 195/4885ALDH1A1 525/4885ALOX15 464/4885

“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.