SCHEMBL7044254

SCHEMBL7044254

CC(=O)NC(CC(=O)NCCC(C(=O)c1ncco1)c1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CTSS P25774 1/20 0.35
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL7045315 0.85 KMT2A (0.39) KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL6061692 0.84 CTSS (0.41) KMT2ACTSSCYP3A4
SCHEMBL6062034 0.79 MAOB (0.46) KMT2AALDH1A1
SCHEMBL6472186 0.75 KMT2A (0.38) KMT2ACYP3A4HPGDCYP2C19RAB9A
SCHEMBL7045897 0.72 EPHX2 (0.38) KMT2AHPGDRAB9A
SCHEMBL7043181 0.72 POLB (0.39) CTSS
SCHEMBL7049550 0.68 DAGLA (0.46) CTSSALDH1A1
SCHEMBL7252485 0.67 CASR (0.41) KMT2AMTNR1AMTNR1BCTSSRAB9A
SCHEMBL6207048 0.66 CYP2C19 (0.48) CYP2C19
SCHEMBL7044248 0.66 CTSL (0.49) CTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ KMT2A 3705/4885MTNR1A 3929/4885MTNR1B 3535/4885

“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.