SCHEMBL3958993

SCHEMBL3958993

CC(=O)N1C[C@@H](CCN2CCC(c3ccc4[nH]ccc4c3)CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
KCNH2 Q12809 3/20 0.51
CHRM1 P11229 1/20 0.51
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ACHE P22303 4/20 0.41
HTR4 Q13639 4/20 0.41
DRD4 P21917 1/20 0.39
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
NOTUM Q6P988 1/20 0.38
PARP1 P09874 1/20 0.37
SLC18A3 Q16572 1/20 0.36
HTR7 P34969 2/20 0.36
ADRA1B P35368 2/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL3962107 0.91 DRD2 (0.51) DRD2KCNH2CHRM1HTR1AHTR2A
SCHEMBL3965943 0.91 DRD2 (0.51) DRD2KCNH2CHRM1HTR1AHTR2A
Hydrochloric Acid SCHEMBL3963423 0.90 DRD2 (0.51) DRD2KCNH2CHRM1HTR1AHTR2A
SCHEMBL3956189 0.90 DRD2 (0.51) DRD2KCNH2CHRM1HTR1AHTR2A
SCHEMBL3956191 0.90 DRD2 (0.51) DRD2KCNH2CHRM1HTR1AHTR2A
Oxalic Acid SCHEMBL3963911 0.89 DRD2 (0.49) DRD2KCNH2CHRM1HTR1AHTR2A
Oxalic Acid SCHEMBL3963899 0.89 DRD2 (0.49) DRD2KCNH2CHRM1HTR1AHTR2A
Oxalic Acid SCHEMBL3964986 0.88 DRD2 (0.49) DRD2KCNH2CHRM1HTR1AHTR2A
Oxalic Acid SCHEMBL28775861 0.88 DRD2 (0.49) DRD2KCNH2CHRM1HTR1AHTR2A
SCHEMBL7215989 0.85 DRD2 (0.55) DRD2HTR1AHTR2AACHEHTR4

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-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A DRD2 24/4885KCNH2 1354/4885CHRM1 317/4885

“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.