SCHEMBL20844371

SCHEMBL20844371

CCC(C)C(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.49
▸ S1PR5 Q9H228 3/20 0.46
▸ S1PR1 P21453 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FUCA1 P04066 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18498096 0.87 GRIN2B (0.52) GRIN2BS1PR5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL18517360 0.87 GRIN2B (0.52) GRIN2BS1PR5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL4696884 0.85 CHRM3 (0.46) ALDH1A1KMT2AHSD17B10
SCHEMBL4695868 0.81 CCR5 (0.44) ALDH1A1
SCHEMBL18498129 0.80 GRIN2B (0.53) GRIN2BS1PR5S1PR1ALDH1A1FUCA1
SCHEMBL18517593 0.80 GRIN2B (0.53) GRIN2BS1PR5S1PR1ALDH1A1FUCA1
SCHEMBL4692050 0.79 GRIN2B (0.58) GRIN2BS1PR5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL7685605 0.79 GRIN2B (0.58) GRIN2BS1PR5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL4696881 0.79 CCL5 (0.38) ALDH1A1HSD17B10
SCHEMBL18498200 0.77 KDM4E (0.52) GRIN2BS1PR5S1PR1ALDH1A1FUCA1

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-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 — — 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 (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-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR5 2786/4885S1PR1 2867/4885

“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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