SCHEMBL3453542

SCHEMBL3453542

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.72
SIGMAR1 Q99720 2/20 0.52
DRD3 P35462 3/20 0.52
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMEM97 Q5BJF2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 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 0.84 DRD2 (1.00) DRD2SIGMAR1DRD3HTR6TMEM97
SCHEMBL2301921 0.79 LMNA (0.64) DRD2HTR6ALDH1A1SMN1; SMN2LMNA
SCHEMBL7136208 0.79 DRD2 (0.45) DRD2DRD3
SCHEMBL7136213 0.79 DRD2 (0.45) DRD2DRD3
SCHEMBL4824580 0.78 DRD2 (0.73) DRD2SIGMAR1DRD3HTR6
SCHEMBL3454917 0.77 HTR6 (0.65) DRD2SIGMAR1HTR6ALDH1A1SMN1; SMN2
SCHEMBL2927397 0.77 ALDH1A1 (0.77) DRD2SIGMAR1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11370762 0.76 HTR6 (0.63) DRD2SIGMAR1HTR6ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL11284383 0.76 ALDH1A1 (0.75) DRD2SIGMAR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8467046 0.75 KCNH2 (0.74) DRD2SIGMAR1

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 9 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
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 18/4885SIGMAR1 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.