SCHEMBL2531725

SCHEMBL2531725

CC(C)OC(=O)Nc1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 3/20 0.41
KCNJ11 Q14654 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 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
SCHEMBL1415961 0.82 SMN1; SMN2 (0.43) HPGDALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL1880904 0.77 MDM4 (0.49) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1416126 0.77 HPGD (0.49) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL693240 0.77 CA12 (0.42) NPC1RAB9AHTTLMNAGAA
SCHEMBL16935687 0.76 MDM4 (0.36) HPGDSMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL8127206 0.75 TAAR1 (0.50)
SCHEMBL8127204 0.75 TAAR1 (0.50)
SCHEMBL1416067 0.75 ALDH1A1 (0.50) HPGDSMN1; SMN2RAB9ACYP1A2KDM4E
SCHEMBL7654892 0.75 MDM4 (0.35) HPGDSMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL7649860 0.75 MDM4 (0.35) HPGDSMN1; SMN2RAB9ACYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885ALOX15 1450/4885SMN1; SMN2 3569/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALOX15 1059/4885SMN1; SMN2 3448/4885

“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.