SCHEMBL7121401

SCHEMBL7121401

FC(F)(F)Oc1ccc(SCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.38
DRD3 P35462 8/20 0.38
HTR2A P28223 7/20 0.38
HTR1A P08908 5/20 0.38
DRD1 P21728 4/20 0.37
DRD5 P21918 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
HRH1 P35367 3/20 0.33
HTR7 P34969 3/20 0.33
ADRA2C P18825 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2C P28335 1/20 0.33
HTR6 P50406 2/20 0.32
EPHX2 P34913 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
CCR3 P51677 2/20 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
SCHEMBL7119307 0.86 ALDH1A1 (0.40) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7117352 0.83 POLB (0.47) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7126559 0.82 DRD2 (0.41) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7126603 0.82 DRD2 (0.36) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7124328 0.81 DRD2 (0.47) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7127857 0.80 HTR2A (0.32) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7125679 0.80 KMT2A (0.46) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7124354 0.79 KCNH2 (0.36) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7123088 0.79 THRB (0.36) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL7118982 0.79 KCNH2 (0.36) DRD2DRD3HTR2AHTR1ADRD1

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 DRD2 7/4885DRD3 3/4885HTR2A 176/4885

“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.