SCHEMBL5786189

SCHEMBL5786189

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N5CCCN(C)CC5)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.48
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BTK Q06187 3/20 0.42
OXTR P30559 1/20 0.41
JAK2 O60674 2/20 0.39
ALDH1A1 P00352 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AVPR1A P37288 3/20 0.39
MGLL Q99685 1/20 0.36

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
SCHEMBL5785098 0.97 AVPR2 (0.50) AVPR2TSHRSMN1; SMN2BTKJAK2
SCHEMBL5785114 0.93 AVPR2 (0.48) AVPR2TSHRSMN1; SMN2BTKJAK2
SCHEMBL6474773 0.90 AVPR2 (0.45) AVPR2TSHRSMN1; SMN2BTKALDH1A1
SCHEMBL5786882 0.90 AVPR2 (0.43) AVPR2TSHRSMN1; SMN2BTKALDH1A1
SCHEMBL5785190 0.89 AVPR2 (0.50) AVPR2TSHRSMN1; SMN2BTKJAK2
SCHEMBL5785767 0.88 AVPR2 (0.43) AVPR2TSHRSMN1; SMN2BTKJAK2
SCHEMBL5785319 0.88 AVPR1A (0.43) AVPR2TSHRSMN1; SMN2BTKALDH1A1
SCHEMBL5784896 0.88 AVPR2 (0.43) AVPR2TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL5786497 0.87 AVPR2 (0.48) AVPR2BTKOXTRAVPR1A
SCHEMBL5782521 0.87 AVPR2 (0.43) AVPR2TSHRSMN1; SMN2ALDH1A1TP53

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 7 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
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 AVPR2 91/4885TSHR 169/4885SMN1; SMN2 2129/4885

“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.