Sugi Predict

Sugi Predict / Compounds / SCHEMBL2076211

SCHEMBL2076211

SCHEMBL2076211

CC(C)(C)OC(=O)N1CCc2nn(Cc3c(F)cccc3F)c(-c3ccc(Cl)cc3)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.43
▸ C5AR1 P21730 6/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40

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
SCHEMBL2077263 0.91 MEN1 (0.41) C5AR1KDM1ACNR1CNR2MEN1
SCHEMBL2077305 0.87 SLC16A3 (0.44) KCNK3C5AR1KDM1ACNR1CNR2
SCHEMBL2077121 0.86 PREP (0.42) KCNK3C5AR1KDM1ACNR1CNR2
SCHEMBL4419012 0.86 KCNK3 (0.46) KCNK3C5AR1CNR1KMT2ARORC
SCHEMBL2074833 0.85 KCNK3 (0.46) KCNK3GPR119CNR1CNR2CYP3A4
SCHEMBL2073869 0.85 MEN1 (0.46) C5AR1CNR1CNR2MEN1KMT2A
SCHEMBL2076899 0.84 PREP (0.45) C5AR1KDM1AGPR119CNR1CNR2
SCHEMBL2075203 0.84 C5AR1 (0.49) KCNK3C5AR1CNR1CNR2MEN1
SCHEMBL2073415 0.83 ACHE (0.46) KCNK3C5AR1CNR1CNR2MEN1
SCHEMBL2073996 0.83 NR1H2 (0.52) C5AR1CNR1CNR2CYP3A4CACNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 — — US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 — — US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 — — US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 — — US disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 — — US disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B KCNK3 1612/4885C5AR1 2550/4885KDM1A 4159/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885C5AR1 2550/4885KDM1A 4159/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885C5AR1 2550/4885KDM1A 4159/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885C5AR1 2550/4885KDM1A 4159/4885

“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.