SCHEMBL5787609

SCHEMBL5787609

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)NCCCn5ccnc5)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.48
NAMPT P43490 6/20 0.45
MAPT P10636 1/20 0.42
AVPR2 P30518 3/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
QPCT Q16769 1/20 0.41

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
SCHEMBL5783535 0.89 LMNA (0.49) LMNARAB9ANAMPTMAPTAVPR2
SCHEMBL5783100 0.89 GLA (0.44) NAMPTAVPR2KMT2AKDM4EALDH1A1
SCHEMBL5783944 0.88 NAMPT (0.50) LMNARAB9ANAMPTMAPTAVPR2
SCHEMBL5784367 0.86 AVPR2 (0.44) NAMPTAVPR2
SCHEMBL5785351 0.85 NAMPT (0.50) LMNARAB9ANAMPTMAPTTP53
SCHEMBL5890993 0.85 AVPR2 (0.43) NAMPTAVPR2KMT2ATP53CYP3A4
SCHEMBL5890715 0.85 AVPR2 (0.42) MAPTAVPR2TP53ALDH1A1
SCHEMBL5784040 0.85 AVPR2 (0.45) AVPR2
SCHEMBL5891472 0.84 AVPR2 (0.42) MAPTAVPR2KMT2AMAPK1ALDH1A1
SCHEMBL5890958 0.83 AVPR2 (0.43) LMNARAB9AMAPTAVPR2KMT2A

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
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US 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
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US disclosed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS 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 (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 LMNA 3975/4885RAB9A 4613/4885NAMPT 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.