SCHEMBL6804434

SCHEMBL6804434

Cc1cc(CC(N)CN2CCCCC2)cc2oc(=O)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 2/20 0.32
RECQL P46063 2/20 0.32
BLM P54132 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAOB P27338 1/20 0.32
ALPL P05186 1/20 0.31
CYP3A4 P08684 3/20 0.31
CALCRL Q16602 3/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL4593110 0.80 CALCRL (0.38) CYP3A4CALCRL
SCHEMBL4585950 0.74 CALCRL (0.48) CYP3A4CALCRL
SCHEMBL3353814 0.69 KDM6B (0.37) KDM4EALDH1A1
SCHEMBL6802077 0.67 CALCRL (0.41) CYP3A4CALCRL
SCHEMBL4497890 0.67 CREBBP (0.39) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL4593261 0.67 CALCRL (0.48) CYP3A4CALCRL
SCHEMBL1286119 0.66 THRA (0.36) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL5394689 0.65 CALCRL (0.41) KDM4ELMNAALDH1A1NPSR1TDP1
SCHEMBL3538428 0.64 EPHX2 (0.43) ALDH1A1TSHRMAPT
SCHEMBL11132639 0.63 NOS1 (0.52) KDM4ELMNATSHRNPSR1KMT2A

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-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed

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-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885LMNA 2724/4885ALDH1A1 2525/4885

“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.