SCHEMBL5227311

SCHEMBL5227311

CC(=O)N1CCCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN3)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.42
P2RX3 P56373 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMO Q99835 1/20 0.35
USP2 O75604 2/20 0.35
CASP1 P29466 1/20 0.35
CASP5 P51878 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MET P08581 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5228486 0.98 TACR1 (0.44) TACR1P2RX3PSEN1PSEN2APH1B
SCHEMBL5230370 0.94 TACR1 (0.45) TACR1P2RX3PSEN1PSEN2APH1B
SCHEMBL5225834 0.89 TACR1 (0.44) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5230386 0.89 ALDH1A1 (0.38) TACR1P2RX3USP2CYP1A2CYP2C19
SCHEMBL5232522 0.88 MET (0.40) TACR1P2RX3USP2CASP1CASP5
SCHEMBL5232346 0.88 TACR1 (0.42) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5232238 0.87 TACR1 (0.43) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5232458 0.87 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL13891620 0.86 TACR1 (0.43) TACR1P2RX3PSEN1PSEN2APH1B
SCHEMBL5230860 0.86 TACR1 (0.41) 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 4 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
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 3/4885P2RX3 135/4885PSEN1 4147/4885

“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.