SCHEMBL4994870

SCHEMBL4994870

CN(C)S(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.66
AVPR2 P30518 5/20 0.55
KCNH2 Q12809 5/20 0.55
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CCR5 P51681 3/20 0.37
OXTR P30559 1/20 0.36

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
SCHEMBL5000950 0.91 AVPR1A (0.65) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5000787 0.83 AVPR1A (0.62) AVPR1AAVPR2KCNH2
SCHEMBL5000983 0.82 AVPR1A (0.65) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5102015 0.80 AVPR1A (0.83) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5102375 0.80 AVPR1A (1.00) AVPR1AAVPR2KCNH2OXTR
SCHEMBL5007135 0.79 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3400817 0.78 AVPR1A (0.53) AVPR1AAVPR2KCNH2
SCHEMBL11961837 0.78 AVPR1A (0.72) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2512963 0.77 AVPR1A (0.71) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2511034 0.77 AVPR1A (0.71) 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 8 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
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.