Sugi Predict

Sugi Predict / Compounds / SCHEMBL496426

SCHEMBL496426

SCHEMBL496426

CC1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)c3nn(C)c4ccccc34)[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR3A P46098 3/20 0.40
▸ HTR3E A5X5Y0 2/20 0.40
▸ HTR3B O95264 2/20 0.40
▸ HTR3D Q70Z44 2/20 0.40
▸ HTR3C Q8WXA8 2/20 0.40
▸ SLC22A2 O15244 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SLC47A1 Q96FL8 1/20 0.40
▸ HTR4 Q13639 6/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL2442561 1.00 KDM4E (0.41) KDM4ECYP3A4ALDH1A1TSHRMAPK1
SCHEMBL496419 0.85 HIF1A (0.38) KDM4ESSTR4
SCHEMBL496277 0.83 TP53 (0.39) —
SCHEMBL3674545 0.81 ACACB (0.36) KDM4E
SCHEMBL3641052 0.80 ACKR3 (0.36) KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL496213 0.76 CYP3A4 (0.47) KDM4ECYP3A4ALDH1A1TSHRMAPK1
SCHEMBL496423 0.75 NR1H2 (0.34) —
SCHEMBL496466 0.74 JAK2 (0.39) KDM4E
SCHEMBL2930020 0.74 POLB (0.42) KDM4EALDH1A1
SCHEMBL2930019 0.74 POLB (0.42) KDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 — — US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 — — US disclosed
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 — — EP disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 — — WO 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 (1 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-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885CYP3A4 867/4885ALDH1A1 731/4885

“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.