SCHEMBL3545796

SCHEMBL3545796

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.37
AURKA O14965 1/20 0.37
FYN P06241 4/20 0.35
PSMB5 P28074 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
LRRK2 Q5S007 1/20 0.33
IP6K1 Q92551 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
SCHEMBL5038451 0.82 MAPT (0.42) NOTUMALDH1A1KDM4ENPC1TP53
SCHEMBL1365489 0.79 CHRNB4 (0.46) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3116016 0.77 CHRNB4 (0.47) NOTUMKDM4EMAPT
SCHEMBL3121636 0.76 HTR2C (0.53) NOTUMNPC1TP53RAB9ASMN1; SMN2
SCHEMBL240095 0.75 SIGMAR1 (0.42) NOTUMALDH1A1KDM4ENPC1RAB9A
SCHEMBL3540753 0.75 NISCH (0.47) NOTUMALDH1A1KDM4ENPC1TP53
SCHEMBL3458441 0.75 ATM (0.40) ALDH1A1KDM4ETP53MAPTSMN1; SMN2
SCHEMBL2272087 0.72 HTR2C (0.60) ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3120305 0.72 HTR2C (0.56) NOTUM
SCHEMBL3539216 0.72 NOTUM (0.40) NOTUMNPC1RAB9A

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 6 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
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 NOTUM 533/4885ALDH1A1 83/4885KDM4E 1268/4885

“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.