SCHEMBL7123088

SCHEMBL7123088

Clc1ccc(SCCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.36
HTR1A P08908 3/20 0.34
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 4/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
POLB P06746 1/20 0.32
BCL2A1 Q16548 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7126603 0.97 DRD2 (0.36) THRBHTR1ADRD2HTR2ADRD3
SCHEMBL7125191 0.94 THRB (0.32) THRBDRD2HTR2ASIGMAR1
SCHEMBL7124335 0.87 CYP1A2 (0.45) THRBHTR1ADRD2HTR2ADRD3
SCHEMBL7117352 0.86 POLB (0.47) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7118982 0.86 KCNH2 (0.36) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7120263 0.86 KDM4E (0.34) HTR1ADRD2DRD3KDM4ELMNA
SCHEMBL7124269 0.85 CYP1A2 (0.36) THRBHTR1ADRD2HTR2ADRD3
SCHEMBL7128484 0.85 KDM4E (0.35) HTR1ADRD2DRD3DRD1KDM4E
SCHEMBL7117421 0.84 CYP1A2 (0.48) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7124370 0.84 HTR1A (0.34) THRBHTR1ADRD2HTR2ADRD3

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 THRB 805/4885HTR1A 74/4885DRD2 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.