SCHEMBL7213877

SCHEMBL7213877

CCCOc1cccc2c1CC(C(=O)OCC)(C(=O)OCC)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
S1PR5 Q9H228 1/20 0.37
ACACB O00763 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
RXRA P19793 1/20 0.36
TP53 P04637 1/20 0.35
OPRM1 P35372 2/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7213777 0.85 S1PR5 (0.41) S1PR5ACACBCNR1CNR2RXRA
SCHEMBL7213873 0.82 BRD4 (0.39) BRD4ALDH1A1ACACBSMN1; SMN2TDP1
SCHEMBL23856939 0.80 BRD4 (0.43) BRD4ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL30253303 0.80 BRD4 (0.43) BRD4ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL7301462 0.77 BRD4 (0.54) BRD4ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL10755656 0.74 BRD4 (0.45) BRD4ALDH1A1SMN1; SMN2OPRM1SLC22A1
SCHEMBL15473236 0.74 HTR1D (0.39) S1PR5ACACBCNR1CNR2CYP1A2
SCHEMBL30253324 0.72 BRD4 (0.37) BRD4ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL10615273 0.72 MTNR1B (0.41)
SCHEMBL16835952 0.71 TSHR (0.41) BRD4LMNASMN1; SMN2CYP1A2CYP2C9

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 323/4885ALDH1A1 289/4885LMNA 4625/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 BRD4 323/4885ALDH1A1 289/4885LMNA 4625/4885

“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.