SCHEMBL9658679

SCHEMBL9658679

CCCCCCOC(=O)[C@@H]1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.56
TLR2 O60603 2/20 0.53
DPP7 Q9UHL4 1/20 0.44
NAAA Q02083 3/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL7780471 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL7780443 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL9659933 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL9659930 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL7533568 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL7533567 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL9658685 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL7782934 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL7780475 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA
SCHEMBL293572 1.00 PRCP (0.56) PRCPTLR2DPP7NAAAGAA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440487-A A kind of application process based on the catalyst of synthesizing annular carbonate under low-temperature atmosphere-pressure 武汉艾奥立化学科技有限公司 2018-08-24 CN disclosed
US-9962369-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-05-08 US disclosed
US-9949952-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-04-24 US disclosed
EP-3116489-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY Yu, Benjamin M. (US) 2017-01-18 EP disclosed
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
CN-105693817-A Tripeptide compound and preparation method and application thereof 西北大学 2016-06-22 CN disclosed
EP-2964231-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORMS OF SOLUTION OR SUSPENSION Yu, Benjamin M. (US) 2016-01-13 EP 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-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-17 US disclosed
WO-2015138486-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY YU BENJAMIN M (US) 2015-09-17 WO disclosed
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-10 US disclosed
WO-2014138708-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORMS OF SOLUTION OR SUSPENSION YU BENJAMIN M (US) 2014-09-12 WO 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
EP-0309624-B1 COMPOSITION FOR ENHANCING PERCUTANEOUS ADMINISTRATION OF MEDICINE NITTO DENKO CORPORATION (JP) 1992-03-11 EP disclosed
EP-0309624-A1 Composition for enhancing percutaneous administration of medicine NITTO DENKO CORPORATION (JP) 1989-04-05 EP 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 (4 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-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY MTNR1A, MTNR1B, CYP27B1 PRCP 3559/4885TLR2 1542/4885DPP7 2858/4885
US-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 PRCP 3056/4885TLR2 2625/4885DPP7 3438/4885
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY VDR, CYP27B1, TTPA PRCP 4173/4885TLR2 1590/4885DPP7 3248/4885
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 PRCP 3056/4885TLR2 2625/4885DPP7 3438/4885

“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.