SCHEMBL4871708

SCHEMBL4871708

N#Cc1ccc(N2CCN(CCSc3nccc(C(F)(F)F)n3)CC2)c2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
DRD2 P14416 9/20 0.36
DRD3 P35462 7/20 0.36
HTR1A P08908 1/20 0.35
RIPK1 Q13546 1/20 0.35
OPRM1 P35372 2/20 0.33
HTR2A P28223 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
KCNH2 Q12809 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4868124 0.83 HTR1A (0.47) HTR1A
SCHEMBL4876083 0.79 DRD2 (0.42) MEN1KMT2APSMD14ALDH1A1LMNA
SCHEMBL4876727 0.78 DRD2 (0.40) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL4874631 0.78 DRD2 (0.42) DRD2DRD3HTR1AHTR2ADRD1
SCHEMBL4871728 0.76 DRD2 (0.42) MEN1KMT2APSMD14ALDH1A1LMNA
SCHEMBL4871786 0.76 KMT2A (0.50) MEN1KMT2APSMD14ALDH1A1LMNA
SCHEMBL4874829 0.76 DRD2 (0.39) ALDH1A1LMNADRD2DRD3HTR2A
SCHEMBL4871876 0.75 DRD2 (0.39) LMNADRD2DRD3HTR2ADRD1
SCHEMBL4875077 0.74 DRD2 (0.39) ALDH1A1DRD2DRD3HTR1AHTR2A
SCHEMBL4874991 0.74 HSD17B10 (0.38) MEN1KMT2APSMD14ALDH1A1LMNA

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 MEN1 2129/4885KMT2A 2062/4885PSMD14 1809/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C MEN1 2778/4885KMT2A 1897/4885PSMD14 1756/4885

“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.