SCHEMBL5000950

SCHEMBL5000950

CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.65
AVPR2 P30518 8/20 0.65
KCNH2 Q12809 5/20 0.65
OXTR P30559 2/20 0.39

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
SCHEMBL4994870 0.91 AVPR1A (0.66) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5007135 0.87 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5000787 0.86 AVPR1A (0.62) AVPR1AAVPR2KCNH2
SCHEMBL2511034 0.85 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2512963 0.85 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL16104226 0.85 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5000983 0.85 AVPR1A (0.65) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5007116 0.79 AVPR1A (0.61) AVPR1AAVPR2KCNH2
SCHEMBL5101520 0.79 AVPR1A (1.00) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5098210 0.79 AVPR1A (0.83) AVPR1AAVPR2KCNH2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US claimed
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
EP-1784408-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2007-05-16 EP disclosed
WO-2006021882-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-03-02 WO disclosed
WO-2006021882-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-03-02 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 (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-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885AVPR2 1/4885KCNH2 864/4885

“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.