SCHEMBL6605022

SCHEMBL6605022

CN(C(=O)O)C1(C2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.51
▸ ACHE P22303 4/20 0.50
▸ CHRM2 P08172 2/20 0.50
▸ CHRM3 P20309 2/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ DRD4 P21917 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ BCHE P06276 1/20 0.46

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
SCHEMBL6603960 0.77 KDM4E (0.50) CACNA1GOPRM1SIGMAR1
SCHEMBL2988825 0.77 MEN1 (0.55) CACNA1GACHEDRD4MEN1TSHR
SCHEMBL19641220 0.76 CYP2D6 (0.57) ACHECHRM2CHRM3OPRM1DRD4
SCHEMBL1316306 0.76 CYP2D6 (0.57) ACHECHRM2CHRM3OPRM1DRD4
SCHEMBL7618708 0.74 ALDH1A1 (0.50) ACHEOPRM1TSHRKMT2ASIGMAR1
SCHEMBL7627376 0.74 DRD4 (0.52) CACNA1GDRD4MEN1TSHRKMT2A
SCHEMBL16795160 0.73 DRD4 (0.54) CACNA1GDRD4MEN1TSHRKMT2A
SCHEMBL784863 0.73 SIGMAR1 (0.68) ACHECHRM2CHRM3OPRM1DRD2
SCHEMBL6605017 0.73 DRD4 (0.54) CACNA1GDRD4MEN1TSHRKMT2A
SCHEMBL8634685 0.73 BCHE (0.46) ACHEDRD4MEN1KMT2ABCHE

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-1106614-B1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2004-01-07 — — EP disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 — — US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 — — US disclosed
EP-1106614-A1 5-Membered heteroaryl 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 (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-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CACNA1G 291/4885ACHE 2188/4885CHRM2 501/4885

“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.

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