SCHEMBL6973456

SCHEMBL6973456

c1ccc(CN2CCN(C3CC4CCC(C3)C43OCCO3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV6 Q9H1D0 2/20 0.44
HTR1D P28221 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL7118198 0.80 KDM4E (0.50) SIGMAR1TSHRRECQLSMN1; SMN2HTR1D
SCHEMBL31459863 0.79 FUCA1 (0.47) SIGMAR1DRD4ACHE
SCHEMBL5534419 0.79 FUCA1 (0.47) SIGMAR1DRD4ACHE
SCHEMBL15112286 0.78 HTR1D (0.54) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
SCHEMBL4797625 0.76 SIGMAR1 (0.69) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
SCHEMBL4275700 0.76 SIGMAR1 (0.58) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
SCHEMBL3709310 0.75 RECQL (0.70) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
SCHEMBL22169537 0.74 RECQL (0.48) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
Hydrochloric Acid SCHEMBL3706762 0.74 RECQL (0.68) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6
SCHEMBL13943667 0.74 SIGMAR1 (0.64) SIGMAR1TSHRRECQLSMN1; SMN2TRPV6

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
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 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 (2 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 278/4885TSHR 2853/4885RECQL 3084/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 297/4885TSHR 3440/4885RECQL 3772/4885

“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.