SCHEMBL6608253

SCHEMBL6608253

N#CC1(CN2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
SIGMAR1 Q99720 5/20 0.53
TMEM97 Q5BJF2 2/20 0.49
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MC4R P32245 1/20 0.46
POLB P06746 2/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.45
KCNA3 P22001 1/20 0.45
OPRL1 P41146 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 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
SCHEMBL7632302 0.95 OPRM1 (0.56) OPRM1SIGMAR1TMEM97CYP3A4HSD17B10
SCHEMBL6604145 0.84 OPRM1 (0.54) OPRM1SIGMAR1TMEM97CYP3A4HSD17B10
SCHEMBL14836350 0.79 OPRM1 (0.55) OPRM1SIGMAR1TMEM97CYP3A4HSD17B10
SCHEMBL5199646 0.79 OPRM1 (0.55) OPRM1SIGMAR1TMEM97CYP3A4HSD17B10
SCHEMBL14387152 0.77 OPRM1 (0.56) OPRM1SIGMAR1CYP3A4HSD17B10POLB
SCHEMBL4630573 0.77 OPRM1 (0.63) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL989783 0.76 OPRM1 (0.61) OPRM1SIGMAR1CYP3A4HSD17B10POLB
SCHEMBL6636176 0.76 OPRM1 (0.61) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL9231786 0.76 OPRM1 (0.61) OPRM1SIGMAR1CYP3A4HSD17B10POLB
Water SCHEMBL8695926 0.75 SIGMAR1 (0.95) SIGMAR1MC4RPOLBDRD4LMNA

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 OPRM1 42/4885SIGMAR1 127/4885TMEM97 455/4885

“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.