SCHEMBL3557754

SCHEMBL3557754

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.56
SLC6A4 P31645 3/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
TSHR P16473 3/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KCNH2 Q12809 2/20 0.51
SLC6A3 Q01959 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3556156 0.90 SLC6A2 (0.58) SLC6A2SLC6A4CNR1CNR2TSHR
SCHEMBL3561029 0.83 SLC6A2 (0.55) SLC6A2SLC6A4CNR1CNR2TSHR
SCHEMBL3553137 0.83 SLC6A2 (0.55) SLC6A2SLC6A4TSHRHTTTDP1
SCHEMBL7603869 0.83 SLC6A2 (0.61) SLC6A2SLC6A4TSHRHTTTDP1
SCHEMBL29181745 0.82 HTR2A (0.68) SLC6A2SLC6A4ALDH1A1GAAHTR2A
Hydrochloric Acid SCHEMBL4777138 0.80 SLC6A2 (0.52) SLC6A2SLC6A4CNR1CNR2TSHR
SCHEMBL549100 0.80 CNR1 (0.47) SLC6A2SLC6A4CNR1CNR2TSHR
SCHEMBL13950056 0.78 CNR1 (0.49) SLC6A2SLC6A4CNR1CNR2TSHR
SCHEMBL3568841 0.78 HTR2A (0.53) CNR1CNR2TSHRHTTTDP1
SCHEMBL5371501 0.77 TSHR (0.63) SLC6A2SLC6A4CNR1CNR2TSHR

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
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
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
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US 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 448/4885CNR1 16/4885

“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.