SCHEMBL6972705

SCHEMBL6972705

c1ccc(CN2CCN(C3CC4CNCC4C3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MC4R P32245 1/20 0.47
DPP4 P27487 1/20 0.47
DRD4 P21917 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
TRPV6 Q9H1D0 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 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
SCHEMBL8193615 0.82 SIGMAR1 (0.55) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL6974039 0.81 MC4R (0.58) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL6607786 0.81 SIGMAR1 (0.53) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL22728510 0.79 ACHE (0.61) SIGMAR1MC4RDRD4TSHRDRD2
SCHEMBL641279 0.79 SIGMAR1 (0.56) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL641278 0.79 SIGMAR1 (0.56) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL4797625 0.79 SIGMAR1 (0.69) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL1206722 0.78 SIGMAR1 (0.64) SIGMAR1RECQLSMN1; SMN2MC4RDRD4
SCHEMBL7128583 0.77 DPP4 (0.49) SIGMAR1RECQLSMN1; SMN2DPP4LMNA
SCHEMBL6980525 0.77 RECQL (0.52) SIGMAR1RECQLSMN1; SMN2MC4RDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 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 SIGMAR1 278/4885RECQL 3084/4885SMN1; SMN2 4652/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 297/4885RECQL 3772/4885SMN1; SMN2 4681/4885

“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.