SCHEMBL11690

SCHEMBL11690

CCC(=O)NCCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALOX15 P16050 2/20 0.41
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
CHRM1 P11229 1/20 0.40
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL5383679 0.87 MEN1 (0.54) MEN1KMT2ASIGMAR1NQO2MTNR1A
SCHEMBL11981542 0.86 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL11960576 0.83 ITGB3 (0.43) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL931401 0.81 EPHX1 (0.56) MEN1KMT2ASIGMAR1NQO2MTNR1A
SCHEMBL6190098 0.81 ALOX15 (0.56) MEN1KMT2AALOX15GNAI3GNAO1
SCHEMBL1037980 0.81 ALOX15 (0.47) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL9893127 0.81 EPHX1 (0.56) MEN1KMT2ASIGMAR1NQO2MTNR1A
Hydrochloric Acid SCHEMBL7417264 0.80 ALOX15 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL16011477 0.80 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL1290747 0.79 ITGB3 (0.51) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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
EP-3421476-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2019-01-02 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
WO-2011047320-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 (2 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT MEN1 3022/4885KMT2A 4506/4885ITGB3 2771/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT MEN1 3022/4885KMT2A 4506/4885ITGB3 2771/4885

“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.