SCHEMBL2364412

SCHEMBL2364412

O=C1NCC(c2cccc(C(F)(F)F)c2)C12CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
SLC6A9 P48067 14/20 0.48
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
OPRM1 P35372 6/20 0.41
SLC6A5 Q9Y345 3/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL2336054 0.99 HTR2C (0.51) HTR2CSLC6A9HTR1AHTR2AHTR2B
SCHEMBL2875597 0.91 HTR1A (0.47) HTR2CSLC6A9HTR1AHTR2AHTR2B
SCHEMBL5557035 0.84 SLC6A9 (0.56) HTR2CSLC6A9OPRM1SLC6A5KCNH2
SCHEMBL9963256 0.82 SLC6A9 (0.51) SLC6A9HTR1AHTR2BOPRM1SLC6A5
SCHEMBL1138335 0.80 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL5561878 0.74 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5556903 0.74 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138347 0.74 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
Hydrochloric Acid SCHEMBL5562493 0.73 SLC6A9 (0.57) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5556904 0.72 SLC6A9 (0.55) SLC6A9OPRM1SLC6A5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP claimed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO claimed
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 disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
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
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 HTR2C 1129/4885SLC6A9 2859/4885HTR1A 199/4885

“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.