SCHEMBL20161363

SCHEMBL20161363

CN1CCN(CCNC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21217570 0.83 MAPK1 (0.36) MAPK1POLBTP53RAB9AGAA
SCHEMBL21162605 0.81 POLB (0.41) POLBKDM4ETP53HSD17B10
SCHEMBL21218064 0.81 RAB9A (0.44) MAPK1POLBKDM4ETP53HSD17B10
SCHEMBL21218027 0.81 ALDH1A1 (0.40) MAPK1POLBKDM4EALDH1A1
SCHEMBL20161778 0.78 NAMPT (0.35) MAPK1TP53ALDH1A1
SCHEMBL22085071 0.76 SMN1; SMN2 (0.46) MAPK1POLBKDM4ENPSR1HSD17B10
SCHEMBL19590941 0.75 KMT2A (0.39) MAPK1KDM4ENPSR1GAAALDH1A1
SCHEMBL19590910 0.74 ALDH1A1 (0.45) MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL10178182 0.70 RXFP1 (0.66) MAPK1TP53GAA
SCHEMBL21935695 0.70 PORCN (0.46) TP53

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAPK1 3852/4885HDAC2 1512/4885HDAC8 1676/4885

“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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