SCHEMBL18018805

SCHEMBL18018805

CCNC(=O)C1(C)CNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 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
SCHEMBL12073745 0.79 — —
SCHEMBL6736241 0.79 KMT2A (0.39) KMT2AHTTALDH1A1MMP1MMP2
SCHEMBL24025620 0.79 KMT2A (0.38) KMT2AHTTALDH1A1MMP1MMP2
SCHEMBL22550258 0.76 ALDH1A1 (0.40) KMT2AHTTALDH1A1MMP1MMP2
SCHEMBL26081876 0.76 ALDH1A1 (0.40) KMT2AHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL19188743 0.75 — —
SCHEMBL10304246 0.74 DRD2 (0.41) KMT2AALDH1A1SMN1; SMN2CYP2C19LMNA
SCHEMBL19026677 0.74 HTT (0.42) KMT2AHTTALDH1A1MMP1MMP2
SCHEMBL13448190 0.74 ALDH1A1 (0.36) KMT2AHTTALDH1A1MMP1MMP2
SCHEMBL13296274 0.72 FFAR3 (0.41) KMT2AHTTALDH1A1MMP1MMP2

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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 KMT2A 127/4885HTT 43/4885ALDH1A1 601/4885

“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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