SCHEMBL1366908

SCHEMBL1366908

Cc1cc(CN2CCC(NC(=O)c3cnc(-c4cccc(F)c4)nc3)C2=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.41
▸ BDKRB1 P46663 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ TPSD1 Q9BZJ3 1/20 0.38
▸ TPSG1 Q9NRR2 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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 0.88 DRD4 (0.43) HPGDSSRCDRD2DRD4F10
SCHEMBL1367373 0.84 HPGDS (0.41) HPGDSSRCDRD2DRD4GABRA5
SCHEMBL16496076 0.81 HPGDS (0.54) HPGDSSRCDRD2DRD4WNT3A
SCHEMBL16495666 0.80 HPGDS (0.55) HPGDSSRCDRD2DRD4WNT3A
SCHEMBL1366736 0.80 HPGDS (0.44) HPGDSSRCDRD2DRD4HDAC1
SCHEMBL1364881 0.79 HPGDS (0.41) HPGDSSRCDRD2GABRA5
SCHEMBL16496171 0.78 HPGDS (0.53) HPGDSSRCDRD2DRD4WNT3A
SCHEMBL2073286 0.75 HPGDS (0.68) HPGDSDRD2DRD4CCR3
SCHEMBL1364506 0.73 HPGDS (0.42) HPGDSDRD2DRD4
SCHEMBL16495485 0.73 SRC (0.50) HPGDSSRCDRD2DRD4F10

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 99/4885BDKRB1 153/4885SRC 3330/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885BDKRB1 153/4885SRC 3330/4885

“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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