SCHEMBL6789252

SCHEMBL6789252

CC(=O)N1CC(CCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
SIGMAR1 Q99720 10/20 0.46
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11824888 0.91 SIGMAR1 (0.52) HTR1ADRD2HTR2ASIGMAR1PPARG
SCHEMBL11839372 0.89 HTR1A (0.52) HTR1ADRD2HTR2ASIGMAR1MAPT
SCHEMBL4763284 0.84 HTR1A (0.44) HTR1ADRD2HTR2ASIGMAR1MAPT
SCHEMBL4763276 0.84 HTR1A (0.44) HTR1ADRD2HTR2ASIGMAR1MAPT
SCHEMBL7213708 0.80 HTR1D (0.54) HTR1ADRD2HTR2ALMNAKDM4E
SCHEMBL7216009 0.79 DRD2 (0.43) HTR1ADRD2HTR2ASIGMAR1
SCHEMBL7220005 0.79 DRD2 (0.46) HTR1ADRD2HTR2ALMNAKDM4E
SCHEMBL7215914 0.79 HTR1A (0.45) HTR1ADRD2HTR2ASIGMAR1LMNA
SCHEMBL6794572 0.78 DRD2 (0.59) HTR1ADRD2HTR2AMAPTNOTUM
SCHEMBL5398831 0.78 HTR1D (0.54) HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044007-A1 Indoline derivatives H. LUNDBECK A/S (DK) 2004-03-04 US claimed
EP-1345921-A1 3-INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC AND NEUROLOGIC DISORDERS H. Lundbeck A/S (DK) 2003-09-24 EP claimed
WO-2002051833-A1 3-INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2002-07-04 WO claimed
EP-1345921-A1 3-INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC AND NEUROLOGIC DISORDERS H. Lundbeck A/S (DK) 2003-09-24 EP disclosed
WO-2002051833-A1 3-INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PSYCHIATRIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2002-07-04 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 (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-20040044007-A1 Indoline derivatives CNR1, GRIN2C, HTR3C HTR1A 7/4885DRD2 43/4885HTR2A 117/4885

“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.