SCHEMBL1364516

SCHEMBL1364516

O=C(NC1CCN(CC2CCCC2)CC1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.59
PRKAA2 P54646 1/20 0.52
HTR7 P34969 3/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR3 P51677 1/20 0.48
DYRK1A Q13627 2/20 0.47
WNT1 P04628 1/20 0.47
GRM5 P41594 1/20 0.46
CCR1 P32246 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1364852 0.99 HPGDS (0.58) HPGDSPRKAA2HTR7DRD2DRD4
SCHEMBL1365939 0.96 HPGDS (0.61) HPGDSPRKAA2HTR7DRD2DRD4
SCHEMBL2070370 0.85 HPGDS (0.78) HPGDSPRKAA2HTR7DRD2DRD4
SCHEMBL1366085 0.85 CCR3 (0.61) HPGDSPRKAA2DRD2DRD4CCR3
SCHEMBL347916 0.85 HPGDS (0.80) HPGDSHTR7DRD2DRD4CCR3
SCHEMBL1364288 0.84 CCR3 (0.63) HPGDSPRKAA2DRD2DRD4CCR3
SCHEMBL1366027 0.83 HPGDS (0.58) HPGDSHTR7DRD2DRD4MEN1
SCHEMBL1367102 0.82 ALDH1A1 (0.59) HPGDSPRKAA2HTR7DRD2DRD4
SCHEMBL348209 0.82 HPGDS (0.56) HPGDSHTR7DRD2DRD4MEN1
SCHEMBL1366874 0.82 DRD4 (0.62) HPGDSPRKAA2HTR7DRD2DRD4

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 99/4885PRKAA2 3883/4885HTR7 658/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885PRKAA2 3883/4885HTR7 658/4885

“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.