SCHEMBL3560944

SCHEMBL3560944

O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.62
ADRA2A P08913 1/20 0.58
DRD2 P14416 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
MAPT P10636 1/20 0.53
KCNH2 Q12809 1/20 0.51
PKM P14618 1/20 0.48

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
SCHEMBL4858773 0.89 UTS2R (0.62) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3566671 0.88 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3565146 0.87 UTS2R (0.63) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4854635 0.87 UTS2R (0.62) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6194403 0.86 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6190155 0.85 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3562221 0.84 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3562217 0.84 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6195154 0.84 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4857354 0.84 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A

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 6 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
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 UTS2R 636/4885ADRA2A 30/4885DRD2 124/4885

“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.