SCHEMBL12316636

SCHEMBL12316636

CC(=O)N1CCC(Oc2cc3c(cc2Cl)CCCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 2/20 0.40
CYP11B2 P19099 3/20 0.39
IKBKB O14920 2/20 0.39
PDE4B Q07343 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CHUK O15111 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL12316612 0.82 PRMT5 (0.40) HRH3CYP11B2IKBKBPDE4BPRMT5
SCHEMBL12316660 0.82 CSNK2A1 (0.44) PDE4BRORC
SCHEMBL12316646 0.81 IKBKB (0.38) HRH3KMT2AIKBKBPDE4BPRMT5
SCHEMBL12316655 0.80 PRMT5 (0.41) HRH3KMT2APRMT5WDR77ALDH1A1
SCHEMBL12316618 0.80 MAP3K14 (0.40) HRH3KMT2AIKBKBPDE4BPRMT5
SCHEMBL12316548 0.76 IKBKB (0.41) CYP11B2IKBKBPDE4BPRMT5WDR77
SCHEMBL12316623 0.76 IKBKB (0.39) HRH3KMT2AIKBKBPDE4BCHUK
SCHEMBL21764928 0.73 IKBKB (0.47) IKBKBPDE4BCHUKRORC
SCHEMBL12316669 0.72 PRMT5 (0.40) HRH3CYP11B2IKBKBPDE4BPRMT5
SCHEMBL12316741 0.72 PRMT5 (0.42) HRH3PRMT5WDR77

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-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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 (1 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 HRH3 2052/4885KMT2A 4226/4885CYP11B2 1422/4885

“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.