SCHEMBL80022

SCHEMBL80022

CC(C)(C)[C@@]1(CN)CCCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3951641 1.00 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL337733 0.95 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2452716 0.95 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL337038 0.95 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL1027415 0.93 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL1026859 0.93 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL16834123 0.87
SCHEMBL6264327 0.87
SCHEMBL5473755 0.84
SCHEMBL5469923 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2016-05-19 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 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 (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-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS NR4A1, NR4A2, NR4A3 USP2 4000/4885ALDH1A1 2506/4885LMNA 4792/4885

“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.