Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108841

SCHEMBL1108841

SCHEMBL1108841

Cn1c(N2CCC(C(N)=O)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.42
▸ OPRD1 P41143 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL1108829 0.91 NOTUM (0.41) ALDH1A1NPSR1OPRD1OPRM1OPRK1
SCHEMBL1108830 0.87 SMN1; SMN2 (0.44) ALDH1A1NPSR1OPRD1OPRM1OPRK1
SCHEMBL1108845 0.87 CYP46A1 (0.43) ALDH1A1NPSR1OPRD1OPRM1OPRK1
SCHEMBL1108843 0.87 CYP46A1 (0.43) ALDH1A1OPRD1OPRM1OPRK1CYP2C19
SCHEMBL1108833 0.84 OPRM1 (0.43) OPRD1OPRM1OPRK1
SCHEMBL1108856 0.84 OPRM1 (0.41) OPRD1OPRM1OPRK1
SCHEMBL1108895 0.84 OPRD1 (0.39) OPRD1OPRM1OPRK1
SCHEMBL1108877 0.83 KMT2A (0.43) ALDH1A1NPSR1OPRD1OPRM1OPRK1
SCHEMBL1108834 0.82 CKS1B (0.44) ALDH1A1OPRD1OPRM1OPRK1KDM4E
SCHEMBL1108831 0.81 OPRM1 (0.41) OPRD1OPRM1OPRK1

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 169/4885NPSR1 1228/4885TDP1 1524/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ALDH1A1 525/4885NPSR1 849/4885TDP1 3074/4885

“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.