SCHEMBL7214481

SCHEMBL7214481

CC(C)(C)OC(=O)N1CC(CCCCS(C)(=O)=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
KDM1A O60341 1/20 0.38
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BCHE P06276 1/20 0.36
NOTUM Q6P988 1/20 0.34

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
SCHEMBL7220869 0.92 PRKACA (0.41) PRKACAPRKACGPRKACBKDM1ANR1H2
SCHEMBL9821524 0.83 PRKACA (0.44) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL30027630 0.79 KDM1A (0.46) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL21209965 0.79 KDM1A (0.46) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL5560252 0.79 KDM1A (0.44) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL3956182 0.78 KDM1A (0.43) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL30681400 0.78 KDM1A (0.46) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL20506532 0.78 KDM1A (0.43) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL3959703 0.78 KDM1A (0.43) PRKACAPRKACGPRKACBKDM1AGPR119
SCHEMBL3956185 0.78 KDM1A (0.43) PRKACAPRKACGPRKACBKDM1AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 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 (2 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PRKACA 4345/4885PRKACG 4682/4885PRKACB 4676/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 PRKACA 4345/4885PRKACG 4682/4885PRKACB 4676/4885

“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.