SCHEMBL7123074

SCHEMBL7123074

Fc1ccc(OCCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 3/20 0.35
HTR1A P08908 3/20 0.35
HTR2A P28223 3/20 0.35
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 7/20 0.35
THRB P10828 1/20 0.35
SLC6A2 P23975 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
NLRP1 Q9C000 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7121423 0.98 ALDH1A1 (0.36) LMNASMN1; SMN2GRM2KDM4EL3MBTL1
SCHEMBL7119008 0.90 KDM4E (0.37) KDM4ESLC6A4HTR1AHTR2ADRD2
SCHEMBL7130577 0.89 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4ESLC6A4HTR1A
SCHEMBL7124339 0.88 HTR1A (0.40) KDM4ESLC6A4HTR1AHTR2ADRD2
SCHEMBL7119276 0.87 LMNA (0.38) LMNASMN1; SMN2KDM4ESLC6A4HTR1A
SCHEMBL7123102 0.87 HRH3 (0.35) LMNASMN1; SMN2KDM4EHTR1AHTR2A
SCHEMBL7127897 0.84 HRH3 (0.32) HTR1AHTR2ADRD2ALDH1A1
SCHEMBL7125207 0.84 KDM4E (0.47) LMNASMN1; SMN2KDM4EL3MBTL1HTR1A
SCHEMBL7123069 0.83 HTR1A (0.33) LMNASLC6A4HTR1AHTR2ADRD2
SCHEMBL7121636 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 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 (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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 LMNA 2521/4885SMN1; SMN2 3539/4885GRM2 68/4885

“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.