SCHEMBL4874666

SCHEMBL4874666

Clc1cncc(OCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD3 P35462 3/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL7124155 0.81 HTR1A (0.46) DRD2DRD3
SCHEMBL4871961 0.79 SLC6A2 (0.34) DRD2DRD3KMT2ASLC6A2SLC6A4
SCHEMBL7128136 0.76 ALDH1A1 (0.42) DRD2SMN1; SMN2KMT2AMEN1
SCHEMBL7124375 0.76 HTR1A (0.33) DRD2DRD3
SCHEMBL7126591 0.76 ALDH1A1 (0.34) DRD2DRD3SLC6A2SLC6A4
SCHEMBL7128154 0.75 HTR1A (0.42) DRD2DRD3SMN1; SMN2CYP2D6
SCHEMBL7122251 0.75 ALDH1A1 (0.37) LMNASMN1; SMN2KMT2AMEN1SLC6A2
SCHEMBL7563345 0.75 ALDH1A1 (0.32)
SCHEMBL4877091 0.75 HTR1A (0.35) DRD2DRD3CHRNB2CHRNA4SLC6A2
SCHEMBL4877185 0.75 SLC6A2 (0.34) DRD2DRD3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 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 (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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A DRD2 20/4885DRD3 27/4885LMNA 3553/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C DRD2 23/4885DRD3 29/4885LMNA 3342/4885

“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.