SCHEMBL18394381

SCHEMBL18394381

Cc1cc(C2CCCN2C(=O)O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.45
▸ GRM5 P41594 2/20 0.45
▸ RIPK1 Q13546 2/20 0.45
▸ USP30 Q70CQ3 1/20 0.42
▸ SCD5 Q86SK9 4/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ SCD O00767 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40

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
SCHEMBL17151081 0.83 LMNA (0.46) PROKR1GRM5RIPK1MAPT
SCHEMBL2961636 0.80 SCD5 (0.42) RIPK1USP30SCD5ROCK2SCD
SCHEMBL22473361 0.80 PRMT5 (0.43) RIPK1PRMT5WDR77MAPT
SCHEMBL17142344 0.78 CXCR4 (0.44) GRM5RIPK1SCD5PRMT5WDR77
SCHEMBL17142323 0.76 RIPK1 (0.55) RIPK1SCD5CCNCCDK8PRMT5
SCHEMBL7520129 0.75 PRMT5 (0.53) RIPK1SCD5PRMT5WDR77SCD
SCHEMBL17558248 0.74 RIPK1 (0.69) RIPK1SCD5CCNCCDK8SCD
SCHEMBL1853141 0.74 RIPK1 (0.69) RIPK1SCD5CCNCCDK8SCD
SCHEMBL1847627 0.74 RIPK1 (0.69) RIPK1SCD5CCNCCDK8SCD
SCHEMBL27341297 0.73 PRMT5 (0.49) GRM5RIPK1SCD5PRMT5WDR77

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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC PROKR1 4721/4885GRM5 1483/4885RIPK1 3255/4885

“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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