SCHEMBL3548424

SCHEMBL3548424

CCC1CN(C(c2ccccc2)c2ccccc2)C1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37
SLC6A9 P48067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CTSK P43235 3/20 0.35
FKBP1A P62942 1/20 0.35
RIPK1 Q13546 1/20 0.34
CTSS P25774 1/20 0.34
OPRD1 P41143 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
CCR5 P51681 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
SCHEMBL3548422 1.00 MEN1 (0.39) MEN1KMT2ACACNA1ACACNA2D1CACNB1
SCHEMBL3548427 1.00 MEN1 (0.39) MEN1KMT2ACACNA1ACACNA2D1CACNB1
SCHEMBL11013636 0.83 SLC6A9 (0.42) KMT2ACACNA1ACACNA2D1CACNB1SLC6A9
SCHEMBL2848577 0.72 KMT2A (0.42) KMT2ACTSKCTSSCCR5
SCHEMBL2848581 0.72 KMT2A (0.42) KMT2ACTSKCTSSCCR5
SCHEMBL2852593 0.72 KMT2A (0.42) KMT2ACTSKCTSSCCR5
SCHEMBL22417468 0.71 GPR119 (0.40) KMT2ACTSKCYP1A2CYP3A4
SCHEMBL8239992 0.71 CACNA1A (0.50) CACNA1ACACNA2D1CACNB1NPSR1NOD2
SCHEMBL27935619 0.70 OPRD1 (0.42) SLC6A9OPRD1
SCHEMBL27518729 0.70 KMT2A (0.42) MEN1KMT2ACACNA1ACACNA2D1CACNB1

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-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE MEN1 3834/4885KMT2A 1078/4885CACNA1A 4425/4885

“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.