SCHEMBL3541197

SCHEMBL3541197

O=C(OCc1ccccc1)[C@H]1CC2(CC[C@@H]1C(=O)N1CCN(c3ccccc3)CC1)CC2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 8/20 0.66
MMP2 P08253 8/20 0.66
ERBB2 P04626 6/20 0.66
MMP9 P14780 6/20 0.66
GRM5 P41594 1/20 0.46
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
MMP3 P08254 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TFPI2 P48307 1/20 0.41

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
SCHEMBL1365923 1.00 ADAM10 (0.66) ADAM10MMP2ERBB2MMP9GRM5
SCHEMBL1365259 0.83 ADAM10 (0.78) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL1365260 0.83 ADAM10 (0.78) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL5131030 0.83 ADAM10 (0.78) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL1365880 0.81 FABP7 (0.45) KMT2A
SCHEMBL1365830 0.79 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL1365829 0.79 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL1365563 0.79 ADAM10 (1.00) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2172914 0.74 ADAM10 (0.44) ADAM10MMP2ERBB2MMP9GRM5
SCHEMBL2173773 0.72 ADAM10 (0.70) ADAM10MMP2ERBB2MMP9CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION 2004-12-23 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-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions MMP9, MMP25, HDAC5 ADAM10 258/4885MMP2 41/4885ERBB2 2369/4885

“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.