SCHEMBL1367373

SCHEMBL1367373

O=C(NC1CCN(Cc2c(F)ccc(F)c2Cl)C1=O)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ GABRA5 P31644 4/20 0.38
▸ ACHE P22303 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MET P08581 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL1364946 0.87 DRD4 (0.43) HPGDSDRD2DRD4SRCHDAC1
SCHEMBL1366908 0.84 HPGDS (0.41) HPGDSDRD2DRD4GABRA5SRC
SCHEMBL1366736 0.80 HPGDS (0.44) HPGDSDRD2DRD4SRCHDAC1
SCHEMBL16495666 0.79 HPGDS (0.55) HPGDSDRD2DRD4SRCHDAC1
SCHEMBL1364881 0.78 HPGDS (0.41) HPGDSDRD2GABRA5SRCHTR7
SCHEMBL16496171 0.76 HPGDS (0.53) HPGDSDRD2DRD4SRCHDAC1
SCHEMBL16496076 0.75 HPGDS (0.54) HPGDSDRD2DRD4GABRA5SRC
SCHEMBL1364506 0.74 HPGDS (0.42) HPGDSDRD2DRD4HTR7GRM5
SCHEMBL1364288 0.71 CCR3 (0.63) HPGDSDRD2DRD4
SCHEMBL16495774 0.70 MCHR1 (0.45) HPGDSSRCHDAC1HDAC6HDAC8

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 99/4885DRD2 4108/4885DRD4 4232/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885DRD2 4108/4885DRD4 4232/4885

“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.

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