SCHEMBL4889608

SCHEMBL4889608

COC(=O)c1cc2[c]cc(OC)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.47
CYP1A2 P05177 1/20 0.41
XDH P47989 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4899112 0.74 XDH (0.45) ULK1CYP1A2XDHKDM4EMAPT
SCHEMBL5777627 0.74 ULK1 (0.55) ULK1CYP1A2XDHKDM4EMAPT
SCHEMBL6223883 0.74 ULK1 (0.66) ULK1CYP1A2XDHKDM4EMAPT
SCHEMBL21490329 0.73 ULK1 (0.53) ULK1CYP1A2XDHKDM4EMAPT
SCHEMBL19331121 0.73 ULK1 (0.53) ULK1CYP1A2XDHKDM4EMAPT
SCHEMBL216170 0.72 FLT3 (0.67) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL29368200 0.72 FLT3 (0.67) XDHKDM4EALDH1A1HPGDNPC1
SCHEMBL1104006 0.69 PDGFRB (0.77) CYP1A2XDHKDM4EMAPTALDH1A1
SCHEMBL31361409 0.69 PDGFRB (0.77) CYP1A2XDHKDM4EMAPTALDH1A1
SCHEMBL28599900 0.69 ULK1 (0.87) ULK1CYP1A2XDHKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US claimed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US claimed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 US claimed
WO-2007137168-A2 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 WO claimed
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US disclosed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 US disclosed
WO-2007137168-A2 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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 (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-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ULK1 4425/4885CYP1A2 91/4885XDH 1959/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 ULK1 4425/4885CYP1A2 91/4885XDH 1959/4885

“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.