SCHEMBL13835262

SCHEMBL13835262

N[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1CCn1cnnc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.55
MC3R P41968 4/20 0.55
MC1R Q01726 4/20 0.55
DPP4 P27487 8/20 0.45
FAP Q12884 5/20 0.45
DPP8 Q6V1X1 5/20 0.45
DPP9 Q86TI2 5/20 0.45
DPP7 Q9UHL4 5/20 0.45
BDKRB2 P30411 2/20 0.40
AGTR2 P50052 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37

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
SCHEMBL15693296 0.91 MC4R (0.55) MC4RMC3RMC1RDPP4FAP
SCHEMBL16272846 0.90 MC4R (0.52) MC4RMC3RMC1RDPP4FAP
SCHEMBL5844838 0.82 MC3R (0.53) MC4RMC3RMC1RDPP4FAP
SCHEMBL13964474 0.82 MC4R (0.52) MC4RMC3RMC1RDPP4FAP
SCHEMBL3127940 0.72 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL15965833 0.71 MC4R (0.36) MC4RMC3RMC1RDPP4FAP
SCHEMBL27609302 0.70 MC3R (0.60) MC4RMC3RMC1RDPP4FAP
SCHEMBL15020437 0.67 HDAC8 (0.46) MC4RMC3RMC1RDPP4FAP
SCHEMBL8815399 0.64 SLC7A5 (0.53) MC4RMC3R
SCHEMBL5215354 0.64 SLC7A5 (0.53) MC4RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP disclosed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US disclosed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10117868-B2 Systems pharmacology for treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-06 US disclosed
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY 2017-07-13 US disclosed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP disclosed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 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 (13 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 MC4R 1099/4885MC3R 1065/4885MC1R 543/4885
US-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B MC4R 208/4885MC3R 118/4885MC1R 49/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 MC4R 699/4885MC3R 682/4885MC1R 526/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 MC4R 699/4885MC3R 682/4885MC1R 526/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B MC4R 208/4885MC3R 118/4885MC1R 49/4885
US-10117868-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B MC4R 208/4885MC3R 118/4885MC1R 49/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT MC4R 497/4885MC3R 379/4885MC1R 119/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 MC4R 1099/4885MC3R 1065/4885MC1R 543/4885
US-20170196908-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 MC4R 699/4885MC3R 682/4885MC1R 526/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 MC4R 867/4885MC3R 526/4885MC1R 137/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT MC4R 497/4885MC3R 379/4885MC1R 119/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT MC4R 497/4885MC3R 379/4885MC1R 119/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 MC4R 699/4885MC3R 682/4885MC1R 526/4885

“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.