SCHEMBL4500643

SCHEMBL4500643

COc1cc(Cl)ccc1-c1nn(C(C)C(=O)O)c(=O)n1Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
ROCK2 O75116 2/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
IDO1 P14902 1/20 0.39
CCR2 P41597 1/20 0.39
P2RX3 P56373 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL4498893 0.85 ROCK2 (0.47) GRIN1GRIN2BROCK2MAPTKMT2A
SCHEMBL8235241 0.82 GRIN1 (0.47) GRIN1GRIN2BROCK2MAPTCNR1
SCHEMBL4496584 0.81 CASR (0.49) MAPTKMT2ALMNAGLA
SCHEMBL4489559 0.76 LMNA (0.43) ROCK2MAPTLMNAGLAIDO1
SCHEMBL12057073 0.74 AVPR2 (0.44) GRIN1GRIN2BROCK2MAPTCNR1
SCHEMBL12057074 0.72 AVPR2 (0.41) GRIN1GRIN2BMAPTPPARGCNR1
SCHEMBL4509966 0.69 AVPR2 (0.51) ROCK2MAPTPPARGPPARACNR1
SCHEMBL414623 0.66 ALDH1A1 (0.34) MAPTKMT2APPARGP2RX3
SCHEMBL1482892 0.65 KMT2A (0.45) GRIN1GRIN2BMAPTKMT2ALMNA
SCHEMBL1483030 0.65 DRD2 (0.47) MAPTCCR2P2RX3PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B GRIN1 1471/4885GRIN2B 2030/4885ROCK2 3152/4885

“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.