SCHEMBL3554172

SCHEMBL3554172

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
PKM P14618 1/20 0.41
DRD2 P14416 2/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
CASP7 P55210 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3554157 0.94 DGAT2 (0.44) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3550256 0.94 USP2 (0.45) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3555113 0.94 NAMPT (0.40) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3559955 0.94 NAMPT (0.41) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3553328 0.93 AVPR2 (0.40) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3553530 0.93 HTT (0.43) NAMPTLMNASMN1; SMN2ROCK2AVPR2
SCHEMBL3558808 0.93 AVPR2 (0.45) NAMPTROCK2AVPR2ALDH1A1TSHR
SCHEMBL3558987 0.93 ALDH1A1 (0.46) NAMPTLMNAROCK2AVPR2ALDH1A1
SCHEMBL3559762 0.92 CYP1A2 (0.40) NAMPTLMNASMN1; SMN2ROCK2PKM
SCHEMBL3554855 0.92 NAMPT (0.39) NAMPTLMNASMN1; SMN2ROCK2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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 (2 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 NAMPT 2416/4885LMNA 3726/4885SMN1; SMN2 2035/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR NAMPT 1960/4885LMNA 4827/4885SMN1; SMN2 4881/4885

“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.