SCHEMBL7620722

SCHEMBL7620722

O=C(O)C1(CCN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
KMT2A Q03164 3/20 0.51
HTR7 P34969 2/20 0.50
HTR1A P08908 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MC4R P32245 1/20 0.49
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR3 P51677 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL7631476 0.89 TSHR (0.55) SIGMAR1KMT2AHTR7HTR1AALDH1A1
SCHEMBL7623544 0.84 OPRM1 (0.49) SIGMAR1KMT2AMC4RCYP2D6CCR3
SCHEMBL7628106 0.83 LMNA (0.64) KMT2AALDH1A1POLBCYP2D6MEN1
SCHEMBL27768034 0.81 CYP2D6 (0.50) SIGMAR1KMT2AALDH1A1POLBTSHR
SCHEMBL7623444 0.79 SIGMAR1 (0.55) SIGMAR1KMT2AALDH1A1MC4RPOLB
SCHEMBL5325425 0.78 CYP2C19 (0.45) KMT2AHTR7ALDH1A1POLBMEN1
SCHEMBL7625247 0.78 SIGMAR1 (0.56) SIGMAR1KMT2AALDH1A1MC4RPOLB
SCHEMBL7628069 0.78 CYP2D6 (0.49) SIGMAR1KMT2AHTR7HTR1AALDH1A1
SCHEMBL6604145 0.77 OPRM1 (0.54) SIGMAR1MC4RPOLBLMNACCR3
SCHEMBL14027004 0.76 CYP2D6 (0.50) SIGMAR1ALDH1A1POLBTSHRCYP2D6

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 127/4885KMT2A 3716/4885HTR7 360/4885

“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.