SCHEMBL16007385

SCHEMBL16007385

CCCCCCOC(=O)C(N)C(C)CC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 3/20 0.44
HTR2C P28335 1/20 0.44
NOD1 Q9Y239 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL1479612 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL7781968 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL10546836 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL7781970 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL7779373 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL10347081 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL1479485 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL1479487 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL16007211 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1
SCHEMBL7779371 1.00 NAAA (0.48) NAAAEPHX1TSHRHTR2CNOD1

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-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2016-11-03 US disclosed
US-9211249-B2 Methods and compositions for transdermal delivery of caffeine in the form of solutions or suspensions SPRAYABLE HOLDINGS, INC. 2015-12-15 US disclosed
US-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2014-09-11 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 (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-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 NAAA 1065/4885EPHX1 120/4885TSHR 3430/4885
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 NAAA 1065/4885EPHX1 120/4885TSHR 3430/4885

“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.