SCHEMBL3454028

SCHEMBL3454028

CCCN1CCN(c2cccc(C(C)=O)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.65
SIGMAR1 Q99720 1/20 0.58
DRD3 P35462 2/20 0.53
MAPT P10636 1/20 0.48
PLOD2 O00469 1/20 0.48
PLOD3 O60568 1/20 0.48
PLOD1 Q02809 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL14346801 0.89 DRD2 (0.53) DRD2SIGMAR1DRD3
SCHEMBL1286697 0.83 PLOD2 (0.60) PLOD2PLOD3PLOD1
SCHEMBL11736036 0.82 DRD2 (0.60) DRD2SIGMAR1MAPTHTR7
SCHEMBL2323421 0.81 DRD2 (0.64) DRD2DRD3MAPTHTR1AHTR7
SCHEMBL11738763 0.80 ALDH1A1 (0.72) MAPT
SCHEMBL8467046 0.79 KCNH2 (0.74) DRD2SIGMAR1HTR1AHTR7
SCHEMBL3453730 0.79 DRD2 (1.00) DRD2SIGMAR1DRD3HTR7
SCHEMBL30764776 0.79 KCNH2 (0.74) DRD2SIGMAR1HTR1AHTR7
SCHEMBL2322269 0.79 MAPT (0.54) MAPT
SCHEMBL8349198 0.79 ALDH1A1 (0.70) MAPT

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-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
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US 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

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 18/4885SIGMAR1 54/4885DRD3 5/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885SIGMAR1 9/4885DRD3 8/4885

“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.