SCHEMBL1763776

SCHEMBL1763776

O=C(NC1(C(=O)OCc2ccccc2)CCNCC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.52
CTSS P25774 5/20 0.51
CTSL P07711 4/20 0.51
CTSB P07858 3/20 0.51
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CTSK P43235 4/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.43

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
Hydrochloric Acid SCHEMBL22462018 0.99 TLR2 (0.53) TLR2CTSSCTSLCTSBDDB1
SCHEMBL3334735 0.92 TLR2 (0.53) TLR2CTSSCTSLCTSBDDB1
SCHEMBL21777615 0.92 CTSS (0.49) TLR2CTSSCTSLCTSBDDB1
SCHEMBL29017562 0.92 CTSS (0.49) TLR2CTSSCTSLCTSBDDB1
SCHEMBL7818404 0.90 TLR2 (0.53) TLR2CTSSCTSLCTSBCTSK
SCHEMBL4269314 0.89 TLR2 (0.47) TLR2CTSSCTSLCTSBDDB1
SCHEMBL25597451 0.88 TLR2 (0.60) TLR2CTSSCTSLCTSBCTSK
SCHEMBL25198330 0.85 CTSS (0.50) TLR2CTSSCTSLCTSBCTSK
SCHEMBL25198329 0.85 CTSS (0.50) TLR2CTSSCTSLCTSBCTSK
SCHEMBL2913795 0.82 CTSS (0.55) TLR2CTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180530-B2 Salt of phenylpropionamide derivative and preparation method therefor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-11-23 US disclosed
US-20200368309-A1 USE OF KOR AGONIST IN COMBINATION WITH MOR AGONIST IN PREPARING DRUG FOR TREATING PAIN JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-11-26 US disclosed
US-20200331963-A1 Salt of phenylpropionamide derivative and preparation method therefor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-10-22 US disclosed
US-20190144499-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-05-16 US disclosed
EP-3466962-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-04-10 EP disclosed
WO-2017211272-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2017-12-14 WO disclosed
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-10-27 US disclosed
US-9321810-B2 Uses of kappa opioid synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2016-04-26 US disclosed
US-20150152138-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2015-06-04 US disclosed
US-8906859-B2 Uses of kappa opioid synthetic peptide amides Cera Therapeutics, Inc. (US) 2014-12-09 US disclosed
US-8486894-B2 Synthetic peptide amides and dimeric forms thereof CARA THERAPEUTICS, INC. (US) 2013-07-16 US disclosed
US-8236766-B2 Uses of synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2012-08-07 US disclosed
US-20110212882-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2011-09-01 US disclosed
US-20110118186-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2011-05-19 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-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2009-06-18 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 (10 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-11180530-B2 Salt of phenylpropionamide derivative and preparation method therefor SLC5A11, SLC6A11, SLC5A1 TLR2 3409/4885CTSS 2079/4885CTSL 876/4885
US-20150152138-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 TLR2 118/4885CTSS 155/4885CTSL 357/4885
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRD1, OPRM1 TLR2 787/4885CTSS 329/4885CTSL 495/4885
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 TLR2 686/4885CTSS 516/4885CTSL 646/4885
US-20110118186-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 TLR2 686/4885CTSS 516/4885CTSL 646/4885
US-20190144499-A1 PHENYL PROPANAMIDE DERIVATIVE, AND MANUFACTURING METHOD AND PHARMACEUTICAL APPLICATION THEREOF OPRK1, OPRD1, OPRL1 TLR2 317/4885CTSS 2965/4885CTSL 1700/4885
US-20200368309-A1 USE OF KOR AGONIST IN COMBINATION WITH MOR AGONIST IN PREPARING DRUG FOR TREATING PAIN OPRK1, OPRM1, OPRL1 TLR2 225/4885CTSS 3266/4885CTSL 2790/4885
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 TLR2 118/4885CTSS 155/4885CTSL 357/4885
US-20200331963-A1 Salt of phenylpropionamide derivative and preparation method therefor SLC5A11, HADHA, GOT1 TLR2 2963/4885CTSS 2816/4885CTSL 2175/4885
US-20110212882-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 TLR2 133/4885CTSS 149/4885CTSL 351/4885

“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.