SCHEMBL4154387

SCHEMBL4154387

Clc1ccc(OC2CCN(CC3CCNCC3)CC2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.61
CCR3 P51677 19/20 0.61
KCNH2 Q12809 16/20 0.61

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
Propionic Acid SCHEMBL6241250 0.89 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL4966059 0.89 HRH1 (0.56) HRH1CCR3KCNH2
SCHEMBL4969078 0.86 HRH1 (0.52) HRH1CCR3KCNH2
SCHEMBL3941182 0.85 KCNH2 (0.54) HRH1CCR3KCNH2
SCHEMBL4967441 0.85 HRH1 (0.51) HRH1CCR3KCNH2
SCHEMBL5194926 0.82 HRH1 (0.62) HRH1CCR3KCNH2
SCHEMBL180334 0.82 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL942585 0.82 SLC6A2 (0.69) HRH1
SCHEMBL31128128 0.82 SLC6A2 (0.69) HRH1
SCHEMBL5194599 0.81 HRH1 (0.61) HRH1CCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP claimed
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-15 US claimed
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-01 US claimed
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-24 US claimed
US-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-17 US claimed
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 US claimed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US claimed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US claimed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US claimed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 US claimed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 US claimed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 US claimed
EP-1620400-B1 piperidinylmethylpiperidine derivatives and their use as chemokine modulators ASTRAZENECA AB (SE) 2012-12-05 EP disclosed
US-20090118513-A1 Chemical Compounds ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-7495013-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-02-24 US disclosed
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 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 (12 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-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20090118513-A1 Chemical Compounds CCR3, CCR1, CCR4 HRH1 38/4885CCR3 1/4885KCNH2 4039/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease CCR3, CCR1, CCR4 HRH1 51/4885CCR3 1/4885KCNH2 3598/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885
US-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1508/4885CCR3 4741/4885KCNH2 2164/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 HRH1 1522/4885CCR3 4732/4885KCNH2 2161/4885

“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.