SCHEMBL6602340

SCHEMBL6602340

NCC1(CCN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
MC4R P32245 1/20 0.50
CCR3 P51677 1/20 0.49
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
OPRL1 P41146 2/20 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
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
SCHEMBL6605277 0.84 SIGMAR1 (0.55) SIGMAR1MC4RCYP3A4HSD17B10KMT2A
SCHEMBL7625247 0.82 SIGMAR1 (0.56) SIGMAR1MC4RCCR3CYP3A4HSD17B10
SCHEMBL7629192 0.82 SIGMAR1 (0.56) SIGMAR1MC4RCCR3CYP3A4HSD17B10
SCHEMBL3334062 0.79 SIGMAR1 (0.61) SIGMAR1MC4RCCR3CYP3A4HSD17B10
SCHEMBL14902488 0.79 GAA (0.58) SIGMAR1CCR3CYP3A4HSD17B10KMT2A
SCHEMBL22050107 0.78 CYP3A4 (0.51) SIGMAR1MC4RCCR3CYP3A4HSD17B10
SCHEMBL7623444 0.78 SIGMAR1 (0.55) SIGMAR1MC4RCCR3CYP3A4HSD17B10
SCHEMBL6604333 0.77 ACHE (0.51) SIGMAR1KMT2ADRD4OPRL1MEN1
SCHEMBL7631476 0.76 TSHR (0.55) SIGMAR1MC4RCCR3KMT2ALMNA
SCHEMBL21337457 0.76 SIGMAR1 (0.56) SIGMAR1MC4RCYP3A4HSD17B10KMT2A

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 SIGMAR1 127/4885MC4R 667/4885CCR3 109/4885

“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.