SCHEMBL6404265

SCHEMBL6404265

O=C(CCl)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.55
HTR7 P34969 3/20 0.55
HTR6 P50406 3/20 0.55
CACNA1F O60840 2/20 0.55
DRD4 P21917 2/20 0.55
DRD5 P21918 2/20 0.55
HRH2 P25021 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
HRH1 P35367 2/20 0.55
ADRA1B P35368 2/20 0.55
OPRM1 P35372 2/20 0.55
DRD3 P35462 2/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
CACNA1D Q01668 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CACNA1S Q13698 2/20 0.55
CACNA1C Q13936 2/20 0.55
HTR1A P08908 1/20 0.55

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
SCHEMBL4140482 0.85 MEN1 (0.66) HTR7SLC6A3KCNH2ALDH1A1HTT
SCHEMBL2548210 0.83 KCNH2 (0.57) HTR2AHTR7HTR6CACNA1FDRD4
SCHEMBL9513154 0.81 MEN1 (0.68) HTR2AHTR7HTR6KCNH2HTR2C
SCHEMBL16739276 0.79 KCNH2 (0.54) HTR2AHTR7HTR6CACNA1FDRD4
SCHEMBL9513181 0.78 THRB (0.73) KCNH2ALDH1A1PRKAA2
SCHEMBL9513345 0.78 THRB (0.73) KCNH2ALDH1A1PRKAA2
SCHEMBL9513162 0.77 HRH2 (0.60) HTR2AHTR7HTR6CACNA1FDRD4
Hydrochloric Acid SCHEMBL9516740 0.77 THRB (0.71) KCNH2ALDH1A1PRKAA2
SCHEMBL7287285 0.77 SIGMAR1 (0.74)
SCHEMBL27585888 0.76 HTR2A (0.50) HTR2AHTR7HTR6CACNA1FDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 US disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 US disclosed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 US disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 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 (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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 HTR2A 4185/4885HTR7 3755/4885HTR6 3910/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 HTR2A 4603/4885HTR7 4041/4885HTR6 4327/4885

“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.