SCHEMBL8233240

SCHEMBL8233240

Cc1ccccc1CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.61
AVPR1A P37288 7/20 0.61
RXFP1 Q9HBX9 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CNR1 P21554 2/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 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
SCHEMBL8234795 0.94 AVPR2 (0.65) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8228004 0.93 AVPR2 (0.68) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8227351 0.90 AVPR2 (0.62) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8233446 0.90 AVPR2 (0.60) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8236114 0.90 AVPR2 (0.64) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL4513232 0.89 AVPR2 (0.59) AVPR2AVPR1ARXFP1CNR1
SCHEMBL12057082 0.89 AVPR2 (0.65) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8227858 0.88 AVPR2 (0.68) AVPR2AVPR1ARXFP1LMNAPOLB
SCHEMBL12057085 0.88 AVPR2 (0.64) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA
SCHEMBL8237207 0.87 AVPR2 (0.59) AVPR2AVPR1ARXFP1SMN1; SMN2LMNA

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-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
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 AVPR2 1/4885AVPR1A 2/4885RXFP1 67/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885RXFP1 67/4885

“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.