SCHEMBL5783289

SCHEMBL5783289

COc1cc(C(=O)N2Cc3ccc(C(=O)NCCCn4ccnc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 6/20 0.45
AVPR2 P30518 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5782798 0.95 GLA (0.51) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5785761 0.95 GLA (0.49) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5784629 0.93 NAMPT (0.46) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5785130 0.92 NAMPT (0.45) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5783944 0.89 NAMPT (0.50) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5785070 0.89 NAMPT (0.43) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5783704 0.88 AVPR1A (0.51) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5785896 0.88 NAMPT (0.50) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5783100 0.88 GLA (0.44) GLAHSD17B10NAMPTAVPR2ALDH1A1
SCHEMBL5785351 0.86 NAMPT (0.50) HSD17B10NAMPTALDH1A1TP53MAPK1

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-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP claimed
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 GLA 4799/4885HSD17B10 2711/4885NAMPT 4275/4885

“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.