SCHEMBL3556747

SCHEMBL3556747

CCN(C(=O)Cc1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MBTPS1 Q14703 1/20 0.51
CCR5 P51681 5/20 0.51
SLC6A2 P23975 8/20 0.47
SLC6A4 P31645 8/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 3/20 0.47
GPR119 Q8TDV5 1/20 0.45
CNR2 P34972 1/20 0.44
CYP2D6 P10635 1/20 0.43
TACR1 P25103 2/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL4164384 0.86 MEN1 (0.56) MEN1KMT2ACCR5SLC6A2SLC6A4
SCHEMBL4027887 0.86 L3MBTL1 (0.57) MEN1KMT2ACCR5SLC6A2SLC6A4
SCHEMBL340742 0.85 TACR1 (0.52) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6397313 0.84 SLC6A2 (0.52) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4158712 0.84 MEN1 (0.54) MEN1KMT2AMBTPS1CCR5SLC6A2
SCHEMBL2769377 0.83 KCNH2 (0.61) MEN1KMT2ACCR5KCNH2GPR119
SCHEMBL27712416 0.82 TACR1 (0.49) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4158615 0.82 CCR5 (0.59) MEN1KMT2ACCR5SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4025121 0.82 KCNH2 (0.60) MEN1KMT2ACCR5KCNH2GPR119
SCHEMBL341681 0.82 TACR1 (0.49) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2

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 5 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
CN-1856305-B Pyridine derivatives as urotensin II antagonists ACTELION PHARMACEUTICALS LTD 2010-04-28 CN 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
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN 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 MEN1 1845/4885KMT2A 3265/4885MBTPS1 1720/4885

“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.