SCHEMBL80752

SCHEMBL80752

O=C(OCc1ccccc1)N1CCCC[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PREP P48147 3/20 0.52
FKBP1A P62942 3/20 0.52
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
ACE2 Q9BYF1 2/20 0.50
CYP2C19 P33261 1/20 0.50
CTRB1 P17538 1/20 0.49

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
SCHEMBL1190565 1.00 SPHK2 (0.54) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL3605585 1.00 SPHK2 (0.54) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL7561453 0.99 SPHK2 (0.53) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL4602602 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL5267939 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL809494 0.96 SPHK2 (0.58) SPHK2SMN1; SMN2NPC1RAB9APREP
SCHEMBL4186350 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL6252758 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL4186357 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL7598366 0.90 TMEM97 (0.51) SMN1; SMN2NPC1RAB9APREPFKBP1A

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 10 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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof NOVARTIS AG (CH) 2022-12-22 US 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
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 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 (6 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 SPHK2 3121/4885SMN1; SMN2 3758/4885NPC1 1810/4885
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 SPHK2 1952/4885SMN1; SMN2 132/4885NPC1 3672/4885
US-20160137666-A1 SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS NR4A1, NR4A2, NR4A3 SPHK2 3299/4885SMN1; SMN2 2525/4885NPC1 2520/4885
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 SPHK2 3108/4885SMN1; SMN2 3759/4885NPC1 1816/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL SPHK2 3831/4885SMN1; SMN2 4220/4885NPC1 1597/4885
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof HBZ, ZFX, HBG1 SPHK2 1789/4885SMN1; SMN2 138/4885NPC1 4071/4885

“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.