SCHEMBL4828685

SCHEMBL4828685

CS(=O)(=O)c1ccc(CCCC2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 10/20 0.58
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
HRH3 Q9Y5N1 1/20 0.41
SLC6A4 P31645 1/20 0.41
MLNR O43193 1/20 0.40

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
SCHEMBL1575508 0.96 NMT1 (0.58) NMT1ITGB3ITGA2BSLC6A4
SCHEMBL26666895 0.83 GRM2 (0.46) NMT1ITGB3ITGA2BHRH3SLC6A4
Hydrochloric Acid SCHEMBL26666890 0.82 GRM2 (0.46) NMT1ITGB3ITGA2BHRH3SLC6A4
SCHEMBL6011372 0.82 CHRM1 (0.44) NMT1
SCHEMBL3037834 0.81 GBA1 (0.56) NMT1SLC6A4
Hydrochloric Acid SCHEMBL6011621 0.81 CHRM1 (0.43) NMT1SLC6A4
Hydrochloric Acid SCHEMBL3034504 0.80 GBA1 (0.54) NMT1SLC6A4
SCHEMBL12204971 0.80 GPR119 (0.59) ITGB3ITGA2BSLC6A4
SCHEMBL5127443 0.80 NMT1 (0.43) NMT1HRH3
SCHEMBL11399497 0.80 NMT1 (0.51) NMT1ITGB3ITGA2BHRH3SLC6A4

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
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 NMT1 4137/4885ITGB3 1745/4885ITGA2B 4378/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 NMT1 3296/4885ITGB3 1106/4885ITGA2B 3684/4885

“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.