SCHEMBL4236462

SCHEMBL4236462

CSc1ccc(C2(C3CCNCC3)Oc3ccccc3O2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 2/20 0.32
EDNRA P25101 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
HTR2C P28335 2/20 0.30
SLC18A3 Q16572 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HTR2B P41595 1/20 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
SCHEMBL4236452 0.85 HTR2C (0.34) SLC6A4SLC6A2SLC6A3KDM1AHTR2C
SCHEMBL4238688 0.81 DRD2 (0.39) SLC6A4SLC6A2SLC6A3DRD2KDM1A
SCHEMBL4240745 0.81 SLC18A3 (0.33) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL4245338 0.81 OPRD1 (0.43) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL4245090 0.78 CCR5 (0.34) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL4243005 0.78 HTR2C (0.45) SLC6A4SLC6A2MEN1KMT2AKDM1A
SCHEMBL4240117 0.75 EPHX1 (0.40) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL4236465 0.70 PTGS2 (0.35) SLC6A4SLC6A2PTGS2
SCHEMBL4244422 0.66 HTR2C (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL5584921 0.63 SLC18A3 (0.55) SLC6A4SLC6A2KDM1AMAOAHTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 SLC6A4 3084/4885SLC6A2 3198/4885MEN1 4855/4885

“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.