SCHEMBL12316655

SCHEMBL12316655

CC(=O)N1CCC(Nc2cc3c(cc2Cl)CCCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.41
WDR77 Q9BQA1 5/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAPK3 P27361 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL12316741 0.88 PRMT5 (0.42) PRMT5WDR77HRH3MAPTEPHX2
SCHEMBL12316605 0.82 PRMT5 (0.43) PRMT5WDR77MAPK3MAPTMAPK1
SCHEMBL12316636 0.80 HRH3 (0.43) PRMT5WDR77HRH3KMT2ASMN1; SMN2
SCHEMBL12316634 0.80 MAP3K14 (0.40) PRMT5WDR77MAPK3MAPTMAPK1
SCHEMBL12316551 0.76 PRMT5 (0.39) PRMT5WDR77MAPK3MAPTKMT2A
SCHEMBL12316650 0.76 MAPK3 (0.37) PRMT5WDR77MAPK3MAPTKMT2A
SCHEMBL12316788 0.71 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL12316577 0.70 KAT2B (0.43)
SCHEMBL12316347 0.70 HSP90AA1 (0.50) MAPTMAPK1
SCHEMBL12316344 0.68 DRD4 (0.47)

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 PRMT5 3647/4885WDR77 3539/4885HRH3 2052/4885

“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.