SCHEMBL18673000

SCHEMBL18673000

CC(C)c1cc(NC2CCN(CCS(C)(=O)=O)CC2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
TLR9 Q9NR96 11/20 0.38
TLR8 Q9NR97 11/20 0.38
TLR7 Q9NYK1 11/20 0.38
HRH4 Q9H3N8 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL20252235 0.90 HRH4 (0.36) PRCPHRH4PRMT5WDR77MEN1
SCHEMBL17303562 0.85 HRH4 (0.39) PRCPTLR9TLR8TLR7HRH4
SCHEMBL19171103 0.83 HRH4 (0.41) PRCPTLR9TLR8TLR7HRH4
SCHEMBL19633720 0.82 GPR119 (0.46) PRCPGPR119
SCHEMBL25059342 0.82 HRH4 (0.37) PRCPTLR9TLR8TLR7HRH4
SCHEMBL19171628 0.82 HRH4 (0.42) PRCPHRH4PRMT5WDR77MEN1
SCHEMBL18672902 0.81 HRH4 (0.38) HRH4PRMT5WDR77MEN1KMT2A
SCHEMBL18672929 0.80 HRH4 (0.47) HRH4PRMT5WDR77MEN1KMT2A
SCHEMBL15833968 0.80 HRH4 (0.37) HRH4PRMT5WDR77MEN1KMT2A
SCHEMBL18673096 0.78 PRMT5 (0.39) PRCPTLR9TLR8TLR7PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 PRCP 2399/4885TLR9 4453/4885TLR8 4804/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 PRCP 2399/4885TLR9 4453/4885TLR8 4804/4885

“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.