SCHEMBL4597271

SCHEMBL4597271

O=C1N(c2ccccc2)CC(c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
HTR6 P50406 4/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL4611367 0.90 FADS1 (0.42) DRD2HTR6HTR3EHTR3BTP53
SCHEMBL5575555 0.87 CYP11B2 (0.44) DRD2HTR6SLC6A4HTTSLC6A3
SCHEMBL14571188 0.82 ALDH1A1 (0.40) DRD2HTR6HTR3EHTR3BTP53
SCHEMBL4609996 0.81 CCR5 (0.50) KCNH2CCR5
SCHEMBL4610004 0.81 CCR5 (0.50) KCNH2CCR5
SCHEMBL4598546 0.81 ALDH1A1 (0.41) DRD2HTR6HTR3EHTR3BTP53
SCHEMBL4608571 0.80 FADS1 (0.40) DRD2HTR6SIGMAR1DRD3KCNH2
SCHEMBL4608568 0.80 FADS1 (0.40) DRD2HTR6SIGMAR1DRD3KCNH2
SCHEMBL5575359 0.79 CCR5 (0.43) DRD2HTR6KCNH2CCR5
SCHEMBL5575923 0.78 ALDH1A1 (0.37) DRD2HTR6HTR3EHTR3BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 DRD2 1758/4885HTR6 1852/4885HTR3E 546/4885

“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.