SCHEMBL7122257

SCHEMBL7122257

Fc1cc(Br)cc(F)c1OCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 3/20 0.31
HTR2A P28223 3/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7123069 0.98 HTR1A (0.33) LMNAMAPTALOX15TSHRHTR1A
SCHEMBL7118092 0.93 HTR1A (0.33) HTR1AHTR2ASLC6A2SLC6A4SIGMAR1
SCHEMBL7122251 0.91 ALDH1A1 (0.37) LMNAKMT2AALDH1A1SLC6A2SLC6A4
SCHEMBL7127897 0.90 HRH3 (0.32) HTR1AHTR2AALDH1A1SIGMAR1DRD2
SCHEMBL7123102 0.89 HRH3 (0.35) LMNAHTR1AHTR2AKMT2AALDH1A1
SCHEMBL7130577 0.87 ALDH1A1 (0.36) LMNAHTR1AHTR2AKMT2AALDH1A1
SCHEMBL7118999 0.86 HRH3 (0.39) MAPTTSHRHTR1AHTR2AKMT2A
SCHEMBL7121636 0.86
SCHEMBL7124375 0.85 HTR1A (0.33) HTR1AHTR2AALDH1A1SIGMAR1DRD2
SCHEMBL7118025 0.85 HRH3 (0.40) MAPTTSHRHTR1AHTR2AKMT2A

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 2521/4885MAPT 3321/4885ALOX15 3776/4885

“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.