SCHEMBL7124331

SCHEMBL7124331

Clc1ccc(Cl)c(SCCCCN2CCN(c3cccc4c3OCCO4)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
HTR1A P08908 2/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL7117417 0.97 DRD2 (0.58) DRD2HTR1ACYP1A2CYP2D6
SCHEMBL7130722 0.93 DRD2 (0.55) DRD2HTR1A
SCHEMBL7124263 0.92 DRD2 (0.57) DRD2HTR1A
SCHEMBL7128480 0.89 HTR1A (0.62) DRD2HTR1A
SCHEMBL7128116 0.86 HTR1A (0.60) DRD2HTR1A
SCHEMBL7123080 0.85 HTR1A (0.57) DRD2HTR1A
SCHEMBL7119991 0.85 DRD2 (0.55) DRD2HTR1A
SCHEMBL7120257 0.85 HTR1A (0.61) DRD2HTR1A
SCHEMBL7118643 0.85 HTR1A (0.55) DRD2HTR1A
SCHEMBL7118977 0.83 DRD2 (0.57) DRD2HTR1A

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 7/4885HTR1A 74/4885CYP1A2 770/4885

“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.