SCHEMBL1764172

SCHEMBL1764172

N=C(N)N(CN)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CYP1A2 P05177 1/20 0.46
SRR Q9GZT4 2/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
EPHX1 P07099 1/20 0.44
CPA1 P15085 5/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 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
SCHEMBL7335152 0.83 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7335142 0.83 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1798535 0.82 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1798536 0.82 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29776962 0.76 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4795710 0.75 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4795705 0.75 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7422429 0.75 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7422432 0.75 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2927472 0.75 SLC1A3 (0.45) ALPIPKMPTGS1XIAPSLC7A5

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 US disclosed
US-10793596-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190241610-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2019-08-08 US disclosed
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2019-06-13 US disclosed
US-10138270-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2018-11-27 US disclosed
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-20170007574-A1 PERIPHERAL KAPPA OPIOID RECEPTOR AGONISTS FOR UREMIC PRURITUS IN DIALYSIS PATIENTS CARA THERAPEUTICS, INC. (US) 2017-01-12 US disclosed
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2016-12-29 US disclosed
US-20160362450-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-12-15 US disclosed
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-10-27 US disclosed
US-7713937-B2 Synthetic peptide amides and dimeric forms thereof CARA THERAPEUTICS, INC. (US) 2010-05-11 US disclosed
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2010-03-25 US disclosed
US-20090264373-A1 of kappa opioid receptor and agonists thereof, exhibit low P450 CYP inhibition and low penetration into the brain; visceral pain, neuropathic pain, hyperalgesia, irritabile bowel syndrome, ocular and otic inflammation, pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma CARA THERAPEUTICS, INC. (US) 2009-10-22 US disclosed
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP disclosed
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2009-06-18 US disclosed
EP-2064228-A2 SYNTHETIC PEPTIDE AMIDES Cara Therapeutics, Inc. (US) 2009-06-03 EP disclosed
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-7402564-B1 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2008-07-22 US disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed
WO-2008057608-A2 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2008-05-15 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 (14 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-10138270-B2 Synthetic peptide amides VIP, OPRK1, OPRL1 ALPI 34/4885PKM 2398/4885PTGS1 164/4885
US-20170007574-A1 PERIPHERAL KAPPA OPIOID RECEPTOR AGONISTS FOR UREMIC PRURITUS IN DIALYSIS PATIENTS OPRK1, OPRL1, OPRD1 ALPI 1390/4885PKM 2949/4885PTGS1 1944/4885
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 ALPI 1504/4885PKM 2427/4885PTGS1 228/4885
US-20190241610-A1 SYNTHETIC PEPTIDE AMIDES OPRK1, OPRL1, OPRD1 ALPI 813/4885PKM 2034/4885PTGS1 145/4885
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRD1, OPRM1 ALPI 843/4885PKM 2981/4885PTGS1 532/4885
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 ALPI 880/4885PKM 2991/4885PTGS1 597/4885
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 ALPI 34/4885PKM 2398/4885PTGS1 164/4885
US-20090264373-A1 of kappa opioid receptor and agonists thereof, exhibit low P450 CYP inhibition and low penetration into the brain; visceral pain, neuropathic pain, hyperalgesia, irritabile bowel syndrome, ocular and otic inflammation, pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma OPRK1, OPRD1, OGFR ALPI 13/4885PKM 2446/4885PTGS1 192/4885
US-20160362450-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 ALPI 34/4885PKM 2398/4885PTGS1 164/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 ALPI 1504/4885PKM 2427/4885PTGS1 228/4885
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 ALPI 56/4885PKM 2005/4885PTGS1 210/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 ALPI 1504/4885PKM 2427/4885PTGS1 228/4885
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 ALPI 1504/4885PKM 2427/4885PTGS1 228/4885
US-10793596-B2 Synthetic peptide amides OPRK1, OPRL1, OPRD1 ALPI 813/4885PKM 2034/4885PTGS1 145/4885

“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.