SCHEMBL6971805

SCHEMBL6971805

CN1CCCC(N2CCNCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NMT1 P30419 1/20 0.35
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KHK P50053 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
SCHEMBL13700882 0.88 HTR6 (0.41) HTR6SMN1; SMN2HPGDKMT2ANMT1
SCHEMBL25104618 0.88 HTR6 (0.41) HTR6SMN1; SMN2HPGDKMT2ANMT1
SCHEMBL18379191 0.88 HTR6 (0.41) HTR6SMN1; SMN2HPGDKMT2ANMT1
SCHEMBL4443392 0.84 HTR6 (0.47) HTR6SMN1; SMN2HPGDKMT2AL3MBTL1
SCHEMBL18379019 0.83 ALDH1A1 (0.39) HTR6HTR2BTMEM97ATML3MBTL1
SCHEMBL19337146 0.83 ALDH1A1 (0.39) HTR6KMT2AHTR2BTMEM97ATM
SCHEMBL6639099 0.83 ALDH1A1 (0.39) HTR6HTR2BTMEM97ATML3MBTL1
SCHEMBL18379098 0.83 ALDH1A1 (0.39) HTR6HTR2BTMEM97ATML3MBTL1
SCHEMBL18878192 0.83 ALDH1A1 (0.39) HTR6KMT2AHTR2BTMEM97ATM
SCHEMBL8435783 0.81 ALDH1A1 (0.38) HTR6HTR2BTMEM97ATML3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 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 (2 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 HTR6 418/4885SMN1; SMN2 4652/4885HPGD 608/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 HTR6 368/4885SMN1; SMN2 4681/4885HPGD 439/4885

“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.