SCHEMBL7123069

SCHEMBL7123069

Fc1cc(Br)cc(F)c1OCCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KMT2A Q03164 1/20 0.31
DRD2 P14416 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
SCHEMBL7122257 0.98 LMNA (0.32) HTR1AHTR2ALMNAMAPTALOX15
SCHEMBL7118092 0.91 HTR1A (0.33) HTR1AHTR2ASLC6A2SLC6A4DRD2
SCHEMBL7130577 0.89 ALDH1A1 (0.36) HTR1AHTR2ALMNAALDH1A1SLC6A2
SCHEMBL7122251 0.89 ALDH1A1 (0.37) LMNAALDH1A1SLC6A2SLC6A4KMT2A
SCHEMBL7127897 0.89 HRH3 (0.32) HTR1AHTR2AALDH1A1DRD2
SCHEMBL7123102 0.87 HRH3 (0.35) HTR1AHTR2ALMNAALDH1A1KMT2A
SCHEMBL7118025 0.86 HRH3 (0.40) HTR1AHTR2AMAPTTSHRALDH1A1
SCHEMBL7121636 0.86
SCHEMBL7126591 0.85 ALDH1A1 (0.34) HTR1AHTR2AALDH1A1SLC6A2SLC6A4
SCHEMBL7118999 0.85 HRH3 (0.39) HTR1AHTR2AMAPTTSHRALDH1A1

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 HTR1A 74/4885HTR2A 176/4885LMNA 2521/4885

“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.