SCHEMBL7631442

SCHEMBL7631442

CC(=O)NCC1(CN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 6/20 0.52
▸ NPFFR2 Q9Y5X5 6/20 0.52
▸ CYP2D6 P10635 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ OPRK1 P41145 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45

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
SCHEMBL7618700 0.87 NPFFR1 (0.52) NPFFR1NPFFR2CYP2D6ALDH1A1OPRK1
SCHEMBL7625331 0.82 NPFFR1 (0.51) NPFFR1NPFFR2OPRK1HTR1AHTR7
SCHEMBL7644663 0.82 NPFFR1 (0.53) NPFFR1NPFFR2OPRK1HTR1AHTR7
SCHEMBL7251032 0.81 NPFFR1 (0.56) NPFFR1NPFFR2CYP2D6ALDH1A1OPRK1
SCHEMBL7625460 0.81 SIGMAR1 (0.49) NPFFR1NPFFR2CYP2D6ALDH1A1KDM4E
SCHEMBL9146667 0.78 OPRM1 (0.50) NPFFR1NPFFR2ALDH1A1OPRK1
SCHEMBL7621104 0.77 OPRM1 (0.48) CYP2D6ALDH1A1KDM4ESIGMAR1
SCHEMBL7627376 0.77 DRD4 (0.52) CYP2D6SIGMAR1
SCHEMBL3937184 0.77 NPFFR1 (0.66) NPFFR1NPFFR2CYP2D6ALDH1A1
SCHEMBL6663595 0.77 ALDH1A1 (0.43) NPFFR1NPFFR2CYP2D6ALDH1A1SIGMAR1

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
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 NPFFR1 700/4885NPFFR2 721/4885CYP2D6 716/4885

“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.

Send feedback