SCHEMBL3458441

SCHEMBL3458441

CC(C)c1cccc(C2=CC[N]CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTPN5 P54829 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
JAK2 O60674 2/20 0.34
HDAC4 P56524 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
ADAM10 O14672 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MDM4 O15151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1365489 0.79 CHRNB4 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3537231 0.78 WDR5 (0.44) RXRARXRBPTPN5KDM4EALDH1A1
SCHEMBL3116016 0.77 CHRNB4 (0.47) KDM4ECYP3A4MAPT
SCHEMBL3121636 0.76 HTR2C (0.53) TP53SMN1; SMN2
SCHEMBL240095 0.75 SIGMAR1 (0.42) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3540753 0.75 NISCH (0.47) L3MBTL1KDM4EALDH1A1TP53CYP3A4
SCHEMBL3545796 0.75 NOTUM (0.41) BRD4CREBBPKDM4EALDH1A1TP53
SCHEMBL15842336 0.75 PTPN5 (0.40) ATML3MBTL1RXRARXRBRXRG
SCHEMBL5584837 0.72 NISCH (0.42) KDM4EALDH1A1TP53CYP3A4MAPT
SCHEMBL3120305 0.72 HTR2C (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP 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

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-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 ATM 3756/4885L3MBTL1 3660/4885RXRA 1920/4885

“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.