SCHEMBL8235343

SCHEMBL8235343

COc1ccccc1CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
KMT2A Q03164 1/20 0.45
FPR1 P21462 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TRPA1 O75762 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL8234756 0.93 FPR1 (0.47) FPR1TSHRRXFP1TP53TRPA1
SCHEMBL8227862 0.89 AVPR2 (0.41) RXFP1
SCHEMBL8233136 0.88 KMT2A (0.47) KMT2ATDP1HDAC6RAB9ATP53
SCHEMBL8227826 0.87 AVPR2 (0.48) CNR1RXFP1TRPA1
SCHEMBL8227821 0.85 LMNA (0.51) KMT2ATSHRTP53MAPT
SCHEMBL4512923 0.84 CNR1 (0.47) CNR1TRPA1MAPT
SCHEMBL8227891 0.83 TP53 (0.51) KMT2ATP53TRPA1MAPT
SCHEMBL12057100 0.83 TRPA1 (0.44) KMT2ARXFP1TP53TRPA1MAPT
Bicarbonate SCHEMBL16530565 0.83 KDM4E (0.47) KMT2AFPR1TDP1TSHRTP53
SCHEMBL8234693 0.82 TP53 (0.55) KMT2ATP53TRPA1MAPT

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 CNR1 282/4885KMT2A 4657/4885FPR1 1111/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B CNR1 282/4885KMT2A 4657/4885FPR1 1111/4885

“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.