SCHEMBL7625839

SCHEMBL7625839

CCN(C(=O)O)C(C(C)(C)C)C1(CN2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.45
▸ SIGMAR1 Q99720 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CACNA1G O43497 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
SCHEMBL6602995 0.77 ALDH1A1 (0.49) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7815165 0.74 ALDH1A1 (0.45) OPRM1SIGMAR1ALDH1A1CYP2D6LMNA
SCHEMBL6603001 0.73 OPRM1 (0.47) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7815162 0.72 CYP2D6 (0.47) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7625846 0.70 OPRM1 (0.46) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7618708 0.69 ALDH1A1 (0.50) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7815159 0.69 ALDH1A1 (0.46) OPRM1SIGMAR1ALDH1A1CYP2D6TSHR
SCHEMBL7621104 0.69 OPRM1 (0.48) OPRM1SIGMAR1ALDH1A1CYP2D6
SCHEMBL7623544 0.66 OPRM1 (0.49) OPRM1SIGMAR1CYP2D6KMT2A
SCHEMBL5538391 0.66 SIGMAR1 (0.55) OPRM1SIGMAR1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 OPRM1 42/4885SIGMAR1 127/4885ALDH1A1 2557/4885

“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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