SCHEMBL4827157

SCHEMBL4827157

CCCCN1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.87
DRD3 P35462 10/20 0.87
DRD4 P21917 9/20 0.87
HTR1A P08908 7/20 0.87
DRD1 P21728 7/20 0.87
DRD5 P21918 7/20 0.87
SIGMAR1 Q99720 3/20 0.61
NFKB1 P19838 1/20 0.61
PRCP P42785 1/20 0.61
EBP Q15125 1/20 0.61
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57

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
SCHEMBL6657019 0.94 DRD3 (0.88) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL29914667 0.91 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL3454031 0.91 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4819670 0.85 DRD2 (0.78) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7352815 0.85 DRD3 (0.85) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7323429 0.85 DRD3 (0.85) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7316143 0.84 DRD3 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL28225266 0.83 DRD2 (0.61) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7319550 0.82 SIGMAR1 (0.74) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL24359296 0.82 DRD2 (0.59) DRD2DRD3DRD4HTR1ADRD1

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
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 CN disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 DRD2 18/4885DRD3 5/4885DRD4 26/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885DRD3 8/4885DRD4 30/4885

“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.