SCHEMBL20756493

SCHEMBL20756493

Cc1ccnc(C(C)CCc2cccc(C(C)C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.36
▸ NOS2 P35228 4/20 0.36
▸ SYK P43405 1/20 0.34
▸ CXCR4 P61073 2/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ UHRF1 Q96T88 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ CRHR1 P34998 2/20 0.31
▸ NOS3 P29474 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL23790646 0.86 CXCR4 (0.36) NOS1NOS2CXCR4HRH1RXRA
SCHEMBL18672324 0.80 NOS1 (0.34) NOS1NOS2CXCR4SLC6A2SLC6A4
SCHEMBL22215320 0.75 CYSLTR2 (0.33) NOS1NOS2SYKCXCR4RXRA
SCHEMBL12120627 0.74 SYK (0.40) NOS1NOS2SYKNOS3
SCHEMBL19132984 0.73 KCNH2 (0.38) RXRAGRIN1GRIN2BALDH1A1
SCHEMBL18672385 0.73 UHRF1 (0.42) NOS1NOS2CXCR4HRH1UHRF1
SCHEMBL22639190 0.72 CYP2D6 (0.34) CXCR4HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL29453940 0.72 UHRF1 (0.52) NOS1NOS2CXCR4HRH1SLC6A2
SCHEMBL179530 0.72 UHRF1 (0.52) NOS1NOS2CXCR4HRH1SLC6A2
SCHEMBL25484211 0.71 RXRA (0.33) RXRAGRIN1GRIN2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 — — 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-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NOS1 3271/4885NOS2 3346/4885SYK 3574/4885

“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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