SCHEMBL2001697

SCHEMBL2001697

CC1c2c(ccc3[nH]cc(Cl)c23)OCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 4/20 0.33
PRKAG1 P54619 4/20 0.33
PRKAA2 P54646 4/20 0.33
PRKAA1 Q13131 4/20 0.33
PRKAG3 Q9UGI9 4/20 0.33
PRKAG2 Q9UGJ0 4/20 0.33
PRKAB1 Q9Y478 4/20 0.33
RIPK1 Q13546 1/20 0.32
P2RX7 Q99572 1/20 0.32
HTR2A P28223 5/20 0.31
HTR2C P28335 5/20 0.31
HTR2B P41595 5/20 0.31
HTR1A P08908 4/20 0.31
HTR1D P28221 3/20 0.31
HTR6 P50406 2/20 0.31
HTR4 Q13639 2/20 0.31
GAA P10253 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL2001858 0.73 CREBBP (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17957809 0.64 HCRTR2 (0.43) LMNA
SCHEMBL17957807 0.64 HCRTR2 (0.43) LMNA
SCHEMBL17957863 0.64 HCRTR2 (0.47) ADRA2ALMNAMAPT
SCHEMBL17957853 0.62 MEN1 (0.42) GAALMNA
SCHEMBL17957849 0.62 MEN1 (0.42) GAALMNA
SCHEMBL17958082 0.62 KDM4C (0.38) GAAADRA2ALMNAMAPT
SCHEMBL2001153 0.60 HTR2A (0.36) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL17417798 0.58 HSD17B10 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7146841 0.57 MAPT (0.48) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A PRKAB2 3584/4885PRKAG1 3203/4885PRKAA2 4181/4885

“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.