SCHEMBL7124339

SCHEMBL7124339

Cc1cc(F)ccc1OCCCN1CCN(C2=COC(C3=CC=CCC3)=CO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.40
HTR2A P28223 9/20 0.40
DRD2 P14416 4/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7119008 0.91 KDM4E (0.37) HTR1AHTR2ADRD2HTR7MEN1
SCHEMBL7121423 0.90 ALDH1A1 (0.36) HTR1AHTR2ADRD2MEN1KMT2A
SCHEMBL7123074 0.88 LMNA (0.38) HTR1AHTR2ADRD2MEN1KMT2A
SCHEMBL7125207 0.86 KDM4E (0.47) HTR1AHTR2ADRD2MEN1KMT2A
SCHEMBL7118092 0.83 HTR1A (0.33) HTR1AHTR2ADRD2SLC6A4DRD3
SCHEMBL7128466 0.82 L3MBTL1 (0.47) HTR1AHTR2ADRD2MEN1KMT2A
SCHEMBL7124375 0.81 HTR1A (0.33) HTR1AHTR2ADRD2DRD3ALDH1A1
SCHEMBL7123102 0.81 HRH3 (0.35) HTR1AHTR2ADRD2MEN1KMT2A
SCHEMBL7127138 0.80 HTR1A (0.44) HTR1AHTR2ADRD2HTR7MEN1
SCHEMBL7122257 0.80 LMNA (0.32) HTR1AHTR2ADRD2KMT2ASLC6A4

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 176/4885DRD2 7/4885

“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.