Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108796

SCHEMBL1108796

SCHEMBL1108796

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD11B1 P28845 8/20 0.39
▸ PKM P14618 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 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
SCHEMBL1108798 0.91 HSD17B10 (0.41) ALDH1A1HSD17B10ALOX15HSD11B1PKM
SCHEMBL1108792 0.89 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX15NPC1RAB9A
SCHEMBL1108708 0.83 OPRD1 (0.45) ALDH1A1HSD17B10ALOX15HSD11B1OPRD1
SCHEMBL1108790 0.83 HSD11B1 (0.46) ALDH1A1HSD11B1NR1I2KMT2A
SCHEMBL1108791 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX15HSD11B1PKM
SCHEMBL1108714 0.81 MEN1 (0.45) HSD11B1NR1I2KMT2A
SCHEMBL1108829 0.80 NOTUM (0.41) ALDH1A1HSD17B10HSD11B1OPRD1NR1I2
SCHEMBL1108808 0.75 HSD11B1 (0.54) HSD11B1NR1I2
SCHEMBL1108786 0.74 ALDH1A1 (0.40) ALDH1A1HSD11B1OPRD1NR1I2POLB
SCHEMBL1108716 0.74 MALT1 (0.44) HSD11B1OPRD1NR1I2

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