SCHEMBL8235337

SCHEMBL8235337

O=C(Cn1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NCc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR7 P34969 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
PLA2G7 Q13093 1/20 0.39
CCR4 P51679 1/20 0.39
PKM P14618 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
GCG P01275 1/20 0.38
CNR1 P21554 2/20 0.38
RECQL P46063 1/20 0.37
NPC1 O15118 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
SCHEMBL8232577 0.88 HPGD (0.50) ADAMTS4ADAMTS5ADORA2AADORA1HPGD
SCHEMBL12057039 0.85 AOC3 (0.47) ADAMTS5HPGDTP53CCR4LIPG
SCHEMBL8232483 0.81 ADAMTS4 (0.41) ADAMTS4ADAMTS5OPRM1OPRL1CHRM1
SCHEMBL14460110 0.79 TP53 (0.45) TP53
SCHEMBL4502893 0.79 POLB (0.41) HPGDTP53TSHR
SCHEMBL4506534 0.77 NPC1 (0.47) HPGDNPC1RAB9A
SCHEMBL14460113 0.76 KMT2A (0.44) ADORA2AADORA1TP53TSHRSMN1; SMN2
SCHEMBL3985136 0.75 PTGS2 (0.38) OPRM1OPRL1HPGDRECQL
SCHEMBL8228884 0.74 NPC1 (0.49) NPC1RAB9A
SCHEMBL8237610 0.72 GPR139 (0.46) CCR4

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 ADAMTS4 285/4885ADAMTS5 266/4885OPRM1 399/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B ADAMTS4 285/4885ADAMTS5 266/4885OPRM1 399/4885

“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.