SCHEMBL7629192

SCHEMBL7629192

NCC1(CN2CCN(Cc3ccccc3)CC2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MC4R P32245 1/20 0.49
POLB P06746 2/20 0.47
DRD4 P21917 1/20 0.47
LMNA P02545 1/20 0.47
OPRL1 P41146 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
CCR3 P51677 1/20 0.44

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
SCHEMBL6605277 0.95 SIGMAR1 (0.55) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL6602340 0.82 SIGMAR1 (0.53) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL3334062 0.82 SIGMAR1 (0.61) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL18458219 0.78 SIGMAR1 (0.56) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL20594638 0.78 SIGMAR1 (0.60) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL4630842 0.78 POLB (0.57) SIGMAR1CYP3A4HSD17B10POLBLMNA
SCHEMBL7618700 0.77 NPFFR1 (0.52) SIGMAR1ALDH1A1CYP2D6
SCHEMBL20571382 0.76 CYP3A4 (0.54) SIGMAR1CYP3A4HSD17B10MC4RPOLB
SCHEMBL6079469 0.76 POLB (0.59) SIGMAR1CYP3A4HSD17B10POLBLMNA
SCHEMBL7625460 0.76 SIGMAR1 (0.49) SIGMAR1CYP3A4HSD17B10MC4RPOLB

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 SIGMAR1 127/4885CYP3A4 1180/4885HSD17B10 3277/4885

“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.