SCHEMBL6602293

SCHEMBL6602293

O=C1CCCN1C1C2CCC1CC(N1CCNCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR6 P50406 1/20 0.33
KDM5A P29375 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MC4R P32245 1/20 0.32
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL7625338 0.80 HPGD (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6605444 0.73 SMN1; SMN2 (0.46) OPRM1OPRK1OPRL1KMT2ASMN1; SMN2
SCHEMBL297012 0.72 HTR2C (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20830070 0.72 HTR2C (0.40) KDM5AOPRM1OPRK1OPRL1L3MBTL3
Hydrochloric Acid SCHEMBL1456315 0.71 HTR2C (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6977582 0.69 HPGD (0.35) HTR6OPRM1OPRK1OPRL1KMT2A
SCHEMBL206786 0.69 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1420634 0.67 HTR2C (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12534010 0.67 BRD4 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6971798 0.67 HTR6 (0.39) HTR6KMT2AHPGDSMN1; SMN2

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 CHRNB2 695/4885CHRNB4 550/4885CHRNA3 661/4885

“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.