SCHEMBL4511121

SCHEMBL4511121

COc1ccccc1-c1nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c(=O)n1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
P2RX7 Q99572 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
AVPR2 P30518 2/20 0.41
AVPR1A P37288 2/20 0.41
ICMT O60725 1/20 0.41
ATM Q13315 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL8234717 0.88 ALDH1A1 (0.46) P2RX7POLBTSHRKMT2AAVPR2
SCHEMBL8237137 0.88 AVPR2 (0.46) NPC1P2RX7POLBTSHRKMT2A
SCHEMBL28777143 0.85 TP53 (0.46) P2RX7POLBTP53KMT2AAVPR2
SCHEMBL8227990 0.85 P2RX7 (0.43) NPC1P2RX7POLBTSHRTP53
SCHEMBL8227344 0.84 AVPR2 (0.51) P2RX7POLBTSHRKMT2AAVPR2
SCHEMBL8233187 0.84 AVPR2 (0.53) NPC1P2RX7POLBTSHRTP53
SCHEMBL4497103 0.82 AVPR2 (0.61) P2RX7TP53KMT2AAVPR2AVPR1A
SCHEMBL8234682 0.82 AVPR2 (0.51) NPC1P2RX7POLBTSHRTP53
SCHEMBL4504103 0.81 AVPR2 (0.52) P2RX7POLBTSHRKMT2AAVPR2
SCHEMBL8235911 0.80 LMNA (0.48) TP53KMT2AAVPR2AVPR1A

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
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-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
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 (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 NPC1 2888/4885PSEN1 4616/4885PSEN2 4633/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B NPC1 2888/4885PSEN1 4616/4885PSEN2 4633/4885

“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.