SCHEMBL4928308

SCHEMBL4928308

O=C1CNC(=O)[C@@H](C2Cc3ccccc3C2)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36
PNMT P11086 1/20 0.35
KAT2B Q92831 1/20 0.34
TSHR P16473 1/20 0.34
CTSD P07339 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ANPEP P15144 1/20 0.33
PRCP P42785 1/20 0.33
OXTR P30559 1/20 0.32

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
SCHEMBL14250714 0.75 F2 (0.33) F2PLATPRSS1CTSD
SCHEMBL14250711 0.75 F2 (0.33) F2PLATPRSS1CTSD
SCHEMBL31267954 0.75 F2 (0.33) F2PLATPRSS1CTSD
SCHEMBL8589309 0.75 TDP1 (0.37) CA12CA9TSHRBRD4CREBBP
SCHEMBL18708199 0.72 F2 (0.34) F2PLATPRSS1
SCHEMBL21149846 0.71 KMT2A (0.42) TSHRBRD4CREBBPANPEPPRCP
SCHEMBL30371814 0.71 KMT2A (0.42) TSHRBRD4CREBBPANPEPPRCP
SCHEMBL22201161 0.71 KMT2A (0.42) TSHRBRD4CREBBPANPEPPRCP
SCHEMBL9940797 0.71 KMT2A (0.42) TSHRBRD4CREBBPANPEPPRCP
SCHEMBL9940591 0.71 KMT2A (0.42) TSHRBRD4CREBBPANPEPPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
EP-1831183-A1 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2007-09-12 EP disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 CA12 4830/4885CA9 4872/4885F2 832/4885

“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.