SCHEMBL3958596

SCHEMBL3958596

C1=C(c2ccc3[nH]ccc3c2)CCN(CCC2CNc3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
HTR7 P34969 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
DRD4 P21917 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.35
NPC1 O15118 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
SCHEMBL3958594 1.00 SIGMAR1 (0.40) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL4763284 0.78 HTR1A (0.44) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL3960010 0.78 HTR1D (0.40) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL3960016 0.78 HTR1D (0.40) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL4763276 0.78 HTR1A (0.44) SIGMAR1HTR7DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL27740057 0.77 HTR1D (0.39) SIGMAR1DRD2DRD3HTR1ACYP1A2
Hydrochloric Acid SCHEMBL27740058 0.77 HTR1D (0.39) SIGMAR1DRD2DRD3HTR1ACYP1A2
SCHEMBL3957776 0.77 HTR7 (0.49) HTR7DRD2DRD3DRD4
SCHEMBL3957782 0.77 HTR7 (0.49) HTR7DRD2DRD3DRD4
SCHEMBL3958641 0.77 HTR7 (0.49) HTR7DRD2DRD3DRD4

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-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 CN disclosed
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 EP disclosed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 WO 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 SIGMAR1 172/4885HTR7 20/4885DRD2 24/4885

“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.