Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108869

SCHEMBL1108869

SCHEMBL1108869

Cn1c(N2CCC(Oc3ccc(C(=O)O)cc3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.47
▸ HSD11B1 P28845 4/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ EPHX2 P34913 4/20 0.42
▸ FAAH O00519 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ OXTR P30559 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ SCD O00767 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL1108870 0.92 HSD11B1 (0.41) SRD5A1HSD11B1EPHX2LMNAOXTR
SCHEMBL1108871 0.90 OPRK1 (0.43) HSD11B1EPHX2NR1I2SCDHRH1
SCHEMBL1108876 0.87 HSD11B1 (0.45) HSD11B1OXTRAVPR1A
SCHEMBL1108860 0.87 HSD11B1 (0.57) HSD11B1NR1I2
SCHEMBL1108889 0.85 HRH1 (0.44) HSD11B1NR1I2HRH1CCR3KCNH2
SCHEMBL1108878 0.85 HRH3 (0.51) HSD11B1OXTRAVPR1A
SCHEMBL1108872 0.84 SCN1A (0.38) HSD11B1EPHX2NR1I2SCDALDH1A1
SCHEMBL1108880 0.84 OPRK1 (0.52) KCNH2
SCHEMBL1108873 0.83 EPHX2 (0.41) EPHX2CCR3KCNH2MEN1KMT2A
SCHEMBL1108882 0.83 OPRK1 (0.41) HSD11B1KCNH2KMT2AMAPTSLC5A7

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 SRD5A1 21/4885HSD11B1 1/4885SRD5A2 35/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 SRD5A1 250/4885HSD11B1 41/4885SRD5A2 330/4885

“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.