SCHEMBL7644663

SCHEMBL7644663

O=C(CCCCl)NCC1(CN2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPFFR1 Q9GZQ6 14/20 0.53
▸ NPFFR2 Q9Y5X5 14/20 0.53
▸ OPRK1 P41145 4/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ OPRD1 P41143 1/20 0.46
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CACNA1G O43497 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
SCHEMBL7625331 0.99 NPFFR1 (0.51) NPFFR1NPFFR2OPRK1OPRM1HTR1A
SCHEMBL6602788 0.88 HTR1A (0.53) NPFFR1NPFFR2OPRK1OPRM1HTR1A
SCHEMBL7631442 0.82 NPFFR1 (0.52) NPFFR1NPFFR2OPRK1HTR1AHTR7
SCHEMBL7618700 0.81 NPFFR1 (0.52) NPFFR1NPFFR2OPRK1HTR1AHTR7
SCHEMBL7625460 0.73 SIGMAR1 (0.49) NPFFR1NPFFR2
SCHEMBL7619844 0.72 HTR1A (0.51) HTR1AHTR7HDAC3HDAC4HDAC1
SCHEMBL10981139 0.72 HTR7 (0.63) HTR7KMT2ACACNA1G
SCHEMBL6605277 0.72 SIGMAR1 (0.55) KMT2A
SCHEMBL6632413 0.70 MC4R (0.59) OPRM1
SCHEMBL6159958 0.70 DPP4 (0.53) HTR1AHTR7HDAC3HDAC4HDAC1

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 NPFFR1 700/4885NPFFR2 721/4885OPRK1 9/4885

“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.

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