SCHEMBL3561029

SCHEMBL3561029

CCN(C1CCNCC1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.55
SLC6A4 P31645 4/20 0.55
NPSR1 Q6W5P4 1/20 0.51
KCNH2 Q12809 3/20 0.50
SLC6A3 Q01959 2/20 0.50
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43

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
SCHEMBL24762019 0.89 SLC6A2 (0.57) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL3553137 0.86 SLC6A2 (0.55) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL7603869 0.85 SLC6A2 (0.61) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL14538099 0.85 SLC6A2 (0.50) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL3557754 0.83 SLC6A2 (0.56) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL14538043 0.83 SLC6A2 (0.48) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
Hydrochloric Acid SCHEMBL4777138 0.82 SLC6A2 (0.52) SLC6A2SLC6A4NPSR1KCNH2SLC6A3
SCHEMBL549100 0.77 CNR1 (0.47) SLC6A2SLC6A4KCNH2SLC6A3TSHR
SCHEMBL3941201 0.77 TSHR (0.48) NPSR1TSHRSMN1; SMN2HTTTDP1
SCHEMBL3561127 0.75 SLC6A2 (0.57) SLC6A2SLC6A4NPSR1KCNH2SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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 (1 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 SLC6A2 549/4885SLC6A4 448/4885NPSR1 37/4885

“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.