SCHEMBL81979

SCHEMBL81979

N#CC[C@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.48
FKBP1A P62942 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
VNN1 O95497 1/20 0.47
ACE2 Q9BYF1 2/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL28528115 1.00 PREP (0.48) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL28528114 1.00 PREP (0.48) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL25848040 0.89 SMN1; SMN2 (0.52) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL80752 0.85 SPHK2 (0.54) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL1190565 0.85 SPHK2 (0.54) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL3605585 0.85 SPHK2 (0.54) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL13961188 0.84 SMN1; SMN2 (0.52) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL14646609 0.84 NPC1 (0.60) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL7561453 0.84 SPHK2 (0.53) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL5305188 0.84 SMN1; SMN2 (0.52) PREPFKBP1ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
EP-3187225-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2017-07-05 EP disclosed
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 (4 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-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 PREP 175/4885FKBP1A 1964/4885SMN1; SMN2 3758/4885
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS NR4A1, NR4A2, NR4A3 PREP 2907/4885FKBP1A 855/4885SMN1; SMN2 2525/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 PREP 172/4885FKBP1A 2017/4885SMN1; SMN2 3759/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL PREP 168/4885FKBP1A 2366/4885SMN1; SMN2 4220/4885

“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.