SCHEMBL7127897

SCHEMBL7127897

Fc1cc(F)c(OCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 3/20 0.31
HTR2A P28223 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7121636 0.96
SCHEMBL7123102 0.96 HRH3 (0.35) HRH3ALDH1A1HTR1AHTR2ASIGMAR1
SCHEMBL7130577 0.94 ALDH1A1 (0.36) HRH3ALDH1A1HTR1AHTR2ASIGMAR1
SCHEMBL7118092 0.94 HTR1A (0.33) HTR1AHTR2ASIGMAR1DRD2DRD1
SCHEMBL7122257 0.90 LMNA (0.32) ALDH1A1HTR1AHTR2ASIGMAR1DRD2
SCHEMBL7123069 0.89 HTR1A (0.33) ALDH1A1HTR1AHTR2ADRD2
SCHEMBL7122251 0.88 ALDH1A1 (0.37) HRH3ALDH1A1
SCHEMBL7124375 0.87 HTR1A (0.33) ALDH1A1HTR1AHTR2ASIGMAR1DRD2
SCHEMBL7121423 0.86 ALDH1A1 (0.36) ALDH1A1HTR1AHTR2ASIGMAR1DRD2
SCHEMBL7126591 0.85 ALDH1A1 (0.34) ALDH1A1HTR1AHTR2ASIGMAR1DRD2

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 HRH3 787/4885ALDH1A1 2108/4885HTR1A 74/4885

“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.