SCHEMBL6045947

SCHEMBL6045947

CN1C(=O)[C@H](C(N)=O)N=C(N2CC3CCC(CC3)C2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.55
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
CCKAR P32238 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37

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
SCHEMBL4701528 1.00 CCKBR (0.55) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL7808640 0.83 GABRP (0.55) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL4701534 0.83 GABRP (0.55) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL7808638 0.83 GABRP (0.55) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL6003736 0.81 GABRP (0.53) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL4703983 0.81 CCKBR (0.53) CCKBRGABRPGABRDGABRA1GABRB1
SCHEMBL7824899 0.76 CCKBR (0.84) CCKBR
SCHEMBL7816478 0.75 CCKBR (0.56) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL7827288 0.75 CCKBR (0.58) CCKBR
SCHEMBL7825451 0.75 CCKBR (0.49) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 CCKBR 36/4885GABRP 135/4885GABRD 128/4885

“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.