SCHEMBL77972

SCHEMBL77972

CC(C)(C)OC(=O)N1CCC(OCCN2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
THRB P10828 2/20 0.44
GPR119 Q8TDV5 4/20 0.43
HPGD P15428 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
MAPT P10636 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL14681648 0.88 SMN1; SMN2 (0.54) RECQLUSP2SMN1; SMN2THRBGPR119
SCHEMBL78659 0.88 HPGD (0.52) RECQLUSP2SMN1; SMN2GPR119HPGD
SCHEMBL78365 0.87 HPGD (0.55) RECQLUSP2SMN1; SMN2GPR119HPGD
SCHEMBL2154252 0.85 RECQL (0.49) RECQLUSP2SMN1; SMN2THRBPRMT5
SCHEMBL2154251 0.85 RECQL (0.49) RECQLUSP2SMN1; SMN2THRBPRMT5
SCHEMBL6157453 0.83 USP2 (0.60) RECQLUSP2SMN1; SMN2THRBGPR119
SCHEMBL17275941 0.82 RECQL (0.61) RECQLUSP2SMN1; SMN2THRBGPR119
SCHEMBL16293179 0.82 RECQL (0.54) RECQLUSP2SMN1; SMN2THRBGPR119
SCHEMBL15353080 0.82 SMN1; SMN2 (0.72) RECQLUSP2SMN1; SMN2THRBMAPT
SCHEMBL14681442 0.81 SMN1; SMN2 (0.51) RECQLUSP2SMN1; SMN2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
WO-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 WO disclosed
WO-2013160810-A2 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2013-10-31 WO disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 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 (3 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB RECQL 3450/4885USP2 4451/4885SMN1; SMN2 4819/4885
US-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA RECQL 1114/4885USP2 4469/4885SMN1; SMN2 3505/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA RECQL 1114/4885USP2 4469/4885SMN1; SMN2 3505/4885

“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.