SCHEMBL1366027

SCHEMBL1366027

CCCCN1CCC(NC(=O)c2cnc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.58
HTR7 P34969 4/20 0.54
DRD2 P14416 2/20 0.50
HTR1A P08908 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A5 Q9Y345 1/20 0.49
DRD4 P21917 1/20 0.49
POLB P06746 1/20 0.48
CCR3 P51677 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SSTR5 P35346 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2071354 0.87 HPGDS (0.73) HPGDSHTR7DRD2HTR1AHTR6
SCHEMBL1365939 0.85 HPGDS (0.61) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL1366085 0.84 CCR3 (0.61) HPGDSDRD2DRD4CCR3
SCHEMBL347916 0.84 HPGDS (0.80) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL2071480 0.83 HPGDS (0.76) HPGDSHTR7DRD2HTR1AHTR6
SCHEMBL1364516 0.83 HPGDS (0.59) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL1364288 0.83 CCR3 (0.63) HPGDSDRD2DRD4CCR3SSTR5
SCHEMBL1368210 0.83 HPGDS (0.55) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL348209 0.83 HPGDS (0.56) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL1364852 0.82 HPGDS (0.58) HPGDSHTR7DRD2DRD4CCR3

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885HTR7 658/4885DRD2 4108/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885HTR7 658/4885DRD2 4108/4885

“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.