SCHEMBL3454537

SCHEMBL3454537

CS(=O)(=O)c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.78
JAK2 O60674 2/20 0.52
JAK3 P52333 1/20 0.52
PTK2 Q05397 1/20 0.52
MLYCD O95822 1/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
JAK1 P23458 1/20 0.47
KCNH2 Q12809 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL3453749 0.87 DRD2 (1.00) DRD2SIGMAR1HTR6
SCHEMBL23355606 0.82 AKR1C3 (0.54) DRD2JAK2JAK3PTK2MLYCD
SCHEMBL21442594 0.82 DRD2 (0.71) DRD2JAK2JAK3PTK2MLYCD
SCHEMBL14032320 0.81 DRD2 (0.51) DRD2JAK2JAK3PTK2JAK1
SCHEMBL11364768 0.80 DRD2 (0.58) DRD2KCNH2
SCHEMBL27794415 0.80 DRD2 (0.50) DRD2JAK2JAK3PTK2JAK1
SCHEMBL13800992 0.79 DRD2 (0.66) DRD2MLYCDNR1H2NR1H3GPR119
SCHEMBL7289093 0.78 KCNH2 (0.74) KCNH2SIGMAR1
SCHEMBL12879718 0.78 KCNH2 (0.74) DRD2KCNH2
SCHEMBL8779983 0.77 DRD2 (0.64) DRD2MLYCDNR1H2NR1H3GPR119

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 14 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
EP-1428822-B1 1-phenylpiperazine derivative as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-15 EP 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 18/4885JAK2 222/4885JAK3 109/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885JAK2 1552/4885JAK3 527/4885

“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.