SCHEMBL17354497

SCHEMBL17354497

CNC(=O)Nc1ccccc1OCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.54
CACNA1B Q00975 2/20 0.54
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HRH1 P35367 2/20 0.50
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HTR1B P28222 1/20 0.48
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL14850276 0.85 CACNA1H (0.51) CACNA1HCACNA1BALDH1A1NPC1RAB9A
SCHEMBL14853494 0.84 SMN1; SMN2 (0.56) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL14853257 0.83 ALDH1A1 (0.54) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL14853420 0.82 CYP2C19 (0.55) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL14517906 0.80 KDM4E (0.73) CACNA1HCACNA1BSMN1; SMN2NPC1RAB9A
SCHEMBL14517909 0.80 KMT2A (0.51) CACNA1HCACNA1BSMN1; SMN2NPC1RAB9A
SCHEMBL14853466 0.78 LMNA (0.50) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL13671 0.78 NPC1 (0.49) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL6924993 0.78 CACNA1H (0.70) CACNA1HCACNA1BALDH1A1KDM4EKMT2A
SCHEMBL17354494 0.78 SMN1; SMN2 (0.59) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A

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-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CACNA1H 4361/4885CACNA1B 4297/4885ALDH1A1 1117/4885

“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.