SCHEMBL6153147

SCHEMBL6153147

CCN(CC)CCOCc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP1A2 P05177 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 2/20 0.51
NFKB1 P19838 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.50
BLM P54132 1/20 0.50
IDO1 P14902 2/20 0.46
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
LTA4H P09960 1/20 0.40
CYP2C9 P11712 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
SCHEMBL15845873 0.83 TAAR1 (0.59) TSHRCYP1A2CYP2D6CYP2C19NFKB1
SCHEMBL7222677 0.80 IDO1 (0.53) TSHRCYP1A2CYP2D6CYP2C19NFKB1
SCHEMBL18171748 0.80 IDO1 (0.61) TSHRIDO1TAAR1SMN1; SMN2HTT
SCHEMBL15845948 0.78 IDO1 (0.55) TSHRCYP1A2CYP2D6CYP2C19NFKB1
SCHEMBL9419149 0.78 IDO1 (0.59) TSHRCYP1A2CYP2D6CYP2C19NFKB1
SCHEMBL14948690 0.77 IDO1 (0.50) TSHRCYP1A2CYP2C19IDO1TAAR1
SCHEMBL7688533 0.76 DRD3 (0.44) TSHRCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL18171753 0.76 IDO1 (0.57) TSHRIDO1TAAR1SMN1; SMN2HTT
SCHEMBL18171754 0.76 IDO1 (0.57) TSHRIDO1TAAR1SMN1; SMN2HTT
SCHEMBL3865796 0.75 IDO1 (0.67) TSHRIDO1TAAR1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 TSHR 4270/4885CYP1A2 1211/4885CYP2D6 741/4885

“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.