SCHEMBL17142344

SCHEMBL17142344

Cc1ccnc(C2CCCN2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ CCR8 P51685 1/20 0.43
▸ HCRTR1 O43613 11/20 0.41
▸ HCRTR2 O43614 11/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAP3K12 Q12852 1/20 0.39

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
SCHEMBL27860912 0.92 CCR1 (0.46) CXCR4PRMT5WDR77CCR1CCR5
SCHEMBL18406191 0.83 LMNA (0.51) PRMT5WDR77
SCHEMBL1329027 0.78 HSD11B1 (0.55) PRMT5WDR77GRM5SCD5RIPK1
SCHEMBL18394381 0.78 PROKR1 (0.45) PRMT5WDR77GRM5SCD5RIPK1
SCHEMBL30444775 0.75 GRM5 (0.42) PRMT5WDR77GRM5SCD5
SCHEMBL29785721 0.74 PRMT5 (0.56) PRMT5WDR77GRM5SCD5RIPK1
SCHEMBL3361751 0.74 PRMT5 (0.56) PRMT5WDR77GRM5SCD5RIPK1
SCHEMBL17142309 0.73 CCNC (0.41) HCRTR2GRM5RIPK1TRPV1
SCHEMBL17142323 0.73 RIPK1 (0.55) PRMT5WDR77SCD5RIPK1
SCHEMBL17142336 0.73 KMO (0.46) GRM5SCD5RIPK1TRPV1

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
EP-3126545-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF The Trustees of Princeton University (US) 2017-02-08 — — EP disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 — — WO 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC CXCR4 3188/4885PRMT5 1525/4885WDR77 2675/4885

“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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