SCHEMBL4611367

SCHEMBL4611367

O=C1N(c2ccc(F)cc2)CC(c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.42
HTR6 P50406 3/20 0.41
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 2/20 0.39
GRM5 P41594 1/20 0.39
TSHR P16473 1/20 0.36
CHRM1 P11229 1/20 0.36
CCR5 P51681 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL4597271 0.90 DRD2 (0.45) HTR6DRD2MEN1LMNAKMT2A
SCHEMBL4608571 0.87 FADS1 (0.40) FADS1HTR6DRD2MEN1KMT2A
SCHEMBL4608568 0.87 FADS1 (0.40) FADS1HTR6DRD2MEN1KMT2A
SCHEMBL5575555 0.82 CYP11B2 (0.44) HTR6DRD2LMNATSHRCCR5
SCHEMBL4597776 0.81 TP53 (0.47) MEN1LMNAKMT2ATP53THRB
SCHEMBL14571188 0.80 ALDH1A1 (0.40) HTR6DRD2TSHRCCR5HTR2A
SCHEMBL4609996 0.78 CCR5 (0.50) KCNH2CCR5
SCHEMBL4598546 0.78 ALDH1A1 (0.41) HTR6DRD2TSHRCHRM1CCR5
SCHEMBL4610004 0.78 CCR5 (0.50) KCNH2CCR5
SCHEMBL5575359 0.76 CCR5 (0.43) HTR6DRD2KCNH2TSHRCCR5

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 FADS1 4055/4885HTR6 1852/4885DRD2 1758/4885

“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.