SCHEMBL4878093

SCHEMBL4878093

Cc1ncccc1OCCN1CCN(c2ccc(C#N)c3c2OCCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
HTR2A P28223 10/20 0.46
HTR1A P08908 8/20 0.46
HTR7 P34969 3/20 0.46
DRD3 P35462 2/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL4868507 0.89 DRD2 (0.45) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL4875691 0.89 DRD2 (0.45) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL4877079 0.82 HTR1A (0.51) HTR1A
SCHEMBL7118802 0.78 CYP1A2 (0.47) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL7120408 0.77 HTR1A (0.46) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL4874631 0.77 DRD2 (0.42) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL4876727 0.74 DRD2 (0.40) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL4868382 0.74 DRD2 (0.42) DRD2HTR2ADRD3HRH1HRH3
SCHEMBL7120297 0.74 KDM4E (0.40) DRD2HTR2AHTR1AHTR7DRD3
SCHEMBL7130688 0.74 HTR2A (0.41) DRD2HTR2AHTR1AHTR7DRD3

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 12 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
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP claimed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 WO 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
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US disclosed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP disclosed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A DRD2 20/4885HTR2A 41/4885HTR1A 3/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C DRD2 23/4885HTR2A 34/4885HTR1A 28/4885

“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.