SCHEMBL6805752

SCHEMBL6805752

O=Cc1cccc(N2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 14/20 0.55
SIGMAR1 Q99720 14/20 0.55
HRH1 P35367 4/20 0.55
HRH3 Q9Y5N1 4/20 0.55
HRH2 P25021 3/20 0.55
HTR1A P08908 2/20 0.55
ADRA2C P18825 2/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
DRD1 P21728 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR2B P41595 1/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRM5 P41594 2/20 0.51

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
SCHEMBL23201166 0.86 CA1 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2384619 0.85 DRD2 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL9727540 0.85 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL27208439 0.84 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL13006300 0.83 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL22291054 0.82 CA1 (0.55) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5669206 0.82 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL34467562 0.81 GRM5 (0.52) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL29013170 0.81 GRM5 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21591697 0.81 TMEM97 (0.55) TMEM97SIGMAR1HRH1HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-20040053933-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-03-18 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 (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-20040053933-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC5R TMEM97 847/4885SIGMAR1 254/4885HRH1 497/4885

“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.