SCHEMBL3454084

SCHEMBL3454084

CCCN1CCN(c2cccc(C#N)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 1.00
DRD3 P35462 5/20 0.84
SIGMAR1 Q99720 1/20 0.59
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL18741393 0.88 DRD2 (0.78) DRD2DRD3
SCHEMBL6175980 0.85 DRD2 (0.74) DRD2DRD3
SCHEMBL15800697 0.84 DRD2 (0.79) DRD2DRD3
SCHEMBL4824466 0.83 DRD2 (0.70) DRD2DRD3CYP2D6TSHR
SCHEMBL3187453 0.82 DRD3 (0.74) DRD2DRD3CYP2D6
SCHEMBL13079493 0.81 DRD2 (0.68) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL3207069 0.81 DRD3 (0.72) DRD2DRD3CYP2D6
SCHEMBL24006009 0.79 DRD2 (0.65) DRD2DRD3
SCHEMBL3187437 0.79 DRD2 (0.69) DRD2DRD3
SCHEMBL14218788 0.78 KCNH2 (0.77) DRD2DRD3SIGMAR1

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 10 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
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 5/4885SIGMAR1 54/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885DRD3 8/4885SIGMAR1 9/4885

“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.