SCHEMBL2833286

SCHEMBL2833286

CCCCC1(N(C)C)CCN(c2ccnc(OC[C@@H]3Cc4ccccc4N3S(=O)(=O)c3c(C)cc(OC)cc3C)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR1A P08908 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30
BCL2 P10415 1/20 0.30
AVPR1A P37288 1/20 0.30
AVPR1B P47901 1/20 0.30

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
SCHEMBL2832195 0.87 LMNA (0.31) TSHRCRHBPCRHR2LMNAHTT
SCHEMBL2832190 0.85
SCHEMBL2832192 0.85 NPY1R (0.30) AVPR1AAVPR1B
SCHEMBL2832597 0.85 CRHR1 (0.33) TSHRCRHBPCRHR2AVPR1AAVPR1B
SCHEMBL2835635 0.84 CASP3 (0.35)
SCHEMBL2836513 0.84 CASP3 (0.34) LMNA
SCHEMBL2832189 0.82 LMNA (0.33) TSHRCRHBPCRHR2LMNAHTT
SCHEMBL2832187 0.81 AVPR1A (0.30) AVPR1AAVPR1B
SCHEMBL2832185 0.80
SCHEMBL2839541 0.79 NAAA (0.44) TSHRCRHBPCRHR2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS TSHR 370/4885CRHBP 3317/4885CRHR2 1990/4885

“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.