SCHEMBL3556720

SCHEMBL3556720

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.51
AVPR2 P30518 4/20 0.51
NAMPT P43490 1/20 0.43
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
VNN1 O95497 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
SCHEMBL3553283 0.92 AVPR1A (0.44) AVPR1AAVPR2NAMPTHTTSMN1; SMN2
SCHEMBL3550201 0.92 SMN1; SMN2 (0.42) AVPR1AAVPR2NAMPTHTTKMT2A
SCHEMBL3554172 0.92 NAMPT (0.42) AVPR1AAVPR2NAMPTHTTSMN1; SMN2
SCHEMBL3553986 0.91 AVPR1A (0.43) AVPR1AAVPR2NAMPTHTTKMT2A
SCHEMBL3550605 0.91 AVPR1A (0.43) AVPR1AAVPR2NAMPTHTTKMT2A
SCHEMBL5891011 0.91 AVPR2 (0.54) AVPR1AAVPR2NAMPTLMNA
SCHEMBL3558686 0.91 NAMPT (0.46) AVPR1AAVPR2NAMPTHTTKMT2A
SCHEMBL3555412 0.91 AVPR1A (0.43) AVPR1AAVPR2NAMPTHTTSMN1; SMN2
SCHEMBL3552426 0.91 HTT (0.47) AVPR1AAVPR2NAMPTHTTKMT2A
SCHEMBL3552714 0.91 HTT (0.49) AVPR1AAVPR2NAMPTHTTKMT2A

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-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US 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
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US 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 AVPR1A 33/4885AVPR2 70/4885NAMPT 2416/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR AVPR1A 51/4885AVPR2 26/4885NAMPT 1960/4885

“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.