SCHEMBL8228909

SCHEMBL8228909

O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NC1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
GRM7 Q14831 1/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR2 P30518 2/20 0.42
AVPR1A P37288 2/20 0.42
GPR139 Q6DWJ6 1/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTR3A P46098 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8232485 0.85 MAPT (0.51) MEN1KMT2AGPR139MAPTTSHR
SCHEMBL8227985 0.84 KMT2A (0.54) MEN1KMT2AGPR139MAPTTSHR
SCHEMBL2434361 0.82 AVPR2 (0.42) MEN1KMT2AAVPR2AVPR1AGPR139
SCHEMBL8233185 0.81 CNR1 (0.48) AVPR2AVPR1AGPR139MAPTTP53
SCHEMBL417179 0.80 AVPR2 (0.46) KMT2AAVPR2AVPR1AMAPK1TSHR
SCHEMBL8237309 0.80 CHRNA7 (0.51) CHRNA7GRM7AVPR2AVPR1ATP53
SCHEMBL8233424 0.79 HPGD (0.49) MEN1KMT2AGPR139MAPTTP53
SCHEMBL8228890 0.79 GPR139 (0.48) AVPR2AVPR1AGPR139
SCHEMBL8227821 0.79 LMNA (0.51) CHRNA7KMT2AAVPR2AVPR1AGPR139
SCHEMBL8235322 0.79 AVPR2 (0.43) AVPR2AVPR1AGPR139MAPTTP53

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-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B CHRNA7 3249/4885GRM7 2169/4885MEN1 1879/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B CHRNA7 3249/4885GRM7 2169/4885MEN1 1879/4885

“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.