SCHEMBL3558370

SCHEMBL3558370

CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCN(CCN)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.58
KCNA3 P22001 2/20 0.50
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
TACR3 P29371 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
SCHEMBL28760829 0.85 HSD11B1 (0.43) OPRM1TACR3
SCHEMBL2470163 0.82 TSHR (0.56) OPRM1OPRD1OPRK1TACR3
SCHEMBL3561518 0.79 AKR1C1 (0.54) OPRM1KCNA3OPRD1OPRK1
SCHEMBL2469663 0.78 NPC1 (0.52) OPRM1KCNA3OPRD1OPRK1TACR3
SCHEMBL3563825 0.77 OPRM1 (0.57) OPRM1OPRD1
SCHEMBL3555689 0.77 MEN1 (0.49) OPRM1KCNA3OPRD1OPRK1TACR3
SCHEMBL6961790 0.76 KCNA3 (0.63) OPRM1KCNA3OPRD1OPRK1
SCHEMBL5547260 0.76 UTS2R (0.50) OPRM1KCNA3TACR3
SCHEMBL5789146 0.75 HSD11B1 (0.67) TACR3
SCHEMBL4353815 0.74 HSD11B1 (0.48) OPRM1

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 7 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
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 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 (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 OPRM1 160/4885KCNA3 281/4885OPRD1 96/4885

“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.