SCHEMBL1998371

SCHEMBL1998371

O=[C]OCCN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
PSMB1 P20618 2/20 0.37
PSMB5 P28074 2/20 0.37
PSMB2 P49721 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7706424 0.98 HRH3 (0.42) HRH3PSMB1PSMB5PSMB2MAPT
SCHEMBL5946007 0.86 HRH3 (0.46) HRH3MAPTALDH1A1
SCHEMBL5251321 0.85 HRH3 (0.50) HRH3
SCHEMBL8561716 0.83 HRH3 (0.54) HRH3MAPTL3MBTL1
SCHEMBL5946046 0.82 ALDH1A1 (0.37) HRH3ALDH1A1MEN1KMT2ALTA4H
SCHEMBL5540209 0.80 POLB (0.45) HRH3MAPTALDH1A1POLBMEN1
SCHEMBL290317 0.80 GLA (0.42) ALDH1A1MEN1KMT2ATDP1
SCHEMBL9534058 0.80 KDM1A (0.32)
SCHEMBL17135438 0.76 HRH3 (0.39) HRH3PSMB1PSMB5PSMB2MAPT
SCHEMBL5294933 0.75

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 US claimed
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US disclosed
EP-1705989-B8 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2009-03-25 EP disclosed
EP-1705989-B1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2008-11-12 EP disclosed
EP-0174654-A2 Carbonyl derivatives CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0174653-A2 Phenylalkyl derivatives CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP disclosed
EP-0145956-A1 Composés amidés CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0089926-A2 Pharmaceutical preparations of tetracycles containing nitrogen, and compounds of this type CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP disclosed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 US 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 (3 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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 HRH3 127/4885PSMB1 3361/4885PSMB5 3172/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 HRH3 127/4885PSMB1 3361/4885PSMB5 3172/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 HRH3 1235/4885PSMB1 4110/4885PSMB5 2990/4885

“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.