SCHEMBL6310438

SCHEMBL6310438

Cc1ccccc1C1NCCCC1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
EPHX2 P34913 1/20 0.41
HCRTR2 O43614 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BTK Q06187 2/20 0.39
HTR2C P28335 2/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SCN4A P35499 1/20 0.36
DRD2 P14416 2/20 0.35
NAMPT P43490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL5747737 0.93 KDM1A (0.43) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6317329 0.85 F2R (0.39) KDM1AHCRTR2HDAC4HDAC6TAS1R3
SCHEMBL5744393 0.85 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5744386 0.85 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5744384 0.85 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6311266 0.85 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL5745869 0.85 KDM1A (0.51) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6310980 0.80 BRD9 (0.42) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6310970 0.80 BRD9 (0.42) KDM1AMAOBEPHX2KMT2AL3MBTL1
SCHEMBL6310972 0.80 BRD9 (0.42) KDM1AMAOBEPHX2KMT2AL3MBTL1

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 KDM1A 1794/4885MAOB 1849/4885EPHX2 1930/4885

“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.