SCHEMBL17509604

SCHEMBL17509604

CN(Cc1ccc2c(c1)CCC2=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
MCHR1 Q99705 1/20 0.39
GLS O94925 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HSD17B1 P14061 1/20 0.38
ACACB O00763 1/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL17539082 0.90 GPR119 (0.41) GPR119MCHR1GLSMAOAMAOB
SCHEMBL27090581 0.81 KCNJ1 (0.45) MAOAMAOB
SCHEMBL12152325 0.79 TSHR (0.54) GLSMAOAHTR2CSLC6A4HSD17B10
SCHEMBL17509606 0.79 HTR2C (0.37) MCHR1GLSHTR2CSLC6A4HSD17B10
SCHEMBL20951182 0.76 GPR119 (0.42) GPR119MAOAMAOBHSD17B1CASP1
SCHEMBL4813891 0.76 CASP1 (0.49) MAOAMAOBHSD17B1ACACBCASP1
SCHEMBL17539087 0.75 KDM4E (0.56) GLSHTR2CSLC6A4HSD17B10
SCHEMBL19236010 0.75 MCHR1 (0.39) MCHR1GLSHTR2CSLC6A4
SCHEMBL17509613 0.74 HTR2C (0.37) MCHR1GLSHTR2CSLC6A4HSD17B10
SCHEMBL23448763 0.73 HRH3 (0.44) GPR119GLSHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975848-B2 Inhibitors of HIV-1 entry and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-05-22 US disclosed
US-9975848-B2 Inhibitors of HIV-1 entry and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-05-22 US disclosed
US-9975848-B2 Inhibitors of HIV-1 entry and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-05-22 US disclosed
US-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF BRYN MAWR COLLEGE 2017-08-17 US disclosed
US-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF BRYN MAWR COLLEGE 2017-08-17 US disclosed
US-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF BRYN MAWR COLLEGE 2017-08-17 US disclosed
WO-2016025681-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-18 WO disclosed
WO-2016025681-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-18 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 (1 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-20170233335-A1 INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD81, ICAM1 GPR119 3438/4885MCHR1 3750/4885GLS 1131/4885

“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.