SCHEMBL4898754

SCHEMBL4898754

[CH]1COc2ccc3[nH]ccc3c2O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
HTR1A P08908 1/20 0.32
AHR P35869 1/20 0.32
PARP1 P09874 1/20 0.31
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL3900178 0.77 ADRA2A (0.39) DRD2HTR1AAHRPARP1DRD4
SCHEMBL11437391 0.71 AHR (0.39) DRD2AHRPARP1DRD4DRD3
SCHEMBL7466691 0.66 HTR1A (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL7466700 0.66 HTR1A (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL2398840 0.65 AHR (0.52) AHRPARP1
SCHEMBL1978270 0.64 MEN1 (0.41) HTR1AAHRPARP1
SCHEMBL4332262 0.62 DRD2 (0.35) DRD2AHRPARP1DRD4DRD3
SCHEMBL29952248 0.62 DRD2 (0.40) DRD2HTR1AAHRPARP1DRD4
SCHEMBL2043007 0.62 OXTR (0.38) AHRPARP1
SCHEMBL14088004 0.60 AHR (0.32) AHRPARP1

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 DRD2 61/4885HTR1A 1/4885AHR 76/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 DRD2 61/4885HTR1A 1/4885AHR 76/4885

“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.