SCHEMBL13931

SCHEMBL13931

C[C@H](CN)CN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 2/20 0.33
ADRA2B P18089 2/20 0.33
DRD3 P35462 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL3917497 1.00 KMT2A (0.42) KMT2AMEN1MAPTATMANPEP
SCHEMBL21778028 1.00 KMT2A (0.42) KMT2AMEN1MAPTATMANPEP
SCHEMBL1306075 0.98 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP
SCHEMBL5586143 0.98 KMT2A (0.46) KMT2AMEN1MAPTATMANPEP
SCHEMBL3841536 0.90
SCHEMBL9944693 0.90 PIK3CD (0.37) KDM4EALDH1A1
SCHEMBL9407486 0.81 KMT2A (0.55) KMT2AMEN1MAPTATMANPEP
SCHEMBL9944697 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8922518 0.79 USP2 (0.50) KMT2AMEN1MAPTANPEPKDM4E
SCHEMBL11371442 0.79 ALOX15 (0.56) ALDH1A1SIGMAR1

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KMT2A 4518/4885MEN1 3118/4885MAPT 4371/4885

“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.