SCHEMBL7213873

SCHEMBL7213873

CCOC(=O)C1(C(=O)OCC)Cc2cccc(OC(C)C)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7213771 0.82 CXCR5 (0.40) TDP1ACACBIRAK4ALDH1A1CA1
SCHEMBL7213877 0.82 BRD4 (0.39) BRD4TDP1ACACBOPRM1SLC22A1
SCHEMBL23856939 0.80 BRD4 (0.43) BRD4MAPTTDP1OPRM1SLC22A1
SCHEMBL30253303 0.80 BRD4 (0.43) BRD4MAPTTDP1OPRM1SLC22A1
SCHEMBL7301462 0.77 BRD4 (0.54) BRD4MEN1MAPTKMT2ATDP1
SCHEMBL10755656 0.74 BRD4 (0.45) BRD4MEN1MAPTKMT2AOPRM1
SCHEMBL10615273 0.72 MTNR1B (0.41)
SCHEMBL30253324 0.72 BRD4 (0.37) BRD4MEN1MAPTKMT2ATDP1
SCHEMBL14417620 0.71 CA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16835952 0.71 TSHR (0.41) BRD4MEN1MAPTKMT2ATSHR

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-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
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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 (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 BRD4 323/4885MEN1 1916/4885GABRP 491/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 BRD4 323/4885MEN1 1916/4885GABRP 491/4885

“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.