SCHEMBL5225571

SCHEMBL5225571

Cc1ccccc1-c1nc(N2CCC(N3CCCC3)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.40
HRH3 Q9Y5N1 1/20 0.36
SLC6A4 P31645 1/20 0.34
CASP1 P29466 1/20 0.34
CASP5 P51878 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL5226991 0.99 TACR1 (0.40) TACR1HRH3SLC6A4
SCHEMBL5231577 0.94 TACR1 (0.39) TACR1
SCHEMBL5233229 0.91 TACR1 (0.42) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5226749 0.90 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5225834 0.89 TACR1 (0.44) TACR1CASP1CASP5PSEN1PSEN2
SCHEMBL5228816 0.89 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5232458 0.88 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5232346 0.87 TACR1 (0.42) TACR1CASP1CASP5PSEN1PSEN2
SCHEMBL5232740 0.87 TACR1 (0.42) TACR1CASP1CASP5PSEN1PSEN2
SCHEMBL5230354 0.87 SMO (0.40) TACR1PSEN1PSEN2APH1BNCSTN

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-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 EP disclosed
EP-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 EP disclosed
US-7064119-B2 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-20 US disclosed
US-20050159409-A1 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO. LTD. (JP) 2005-07-21 US disclosed
EP-1496059-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2005-01-12 EP 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-20050159409-A1 Fused bicyclic pyrimidine derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885HRH3 18/4885SLC6A4 761/4885

“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.