SCHEMBL3530638

SCHEMBL3530638

N#CCC1(c2ccc(F)c(Cl)c2)CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 2/20 0.41
HTR1A P08908 5/20 0.37
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
MAPT P10636 1/20 0.36
MCHR1 Q99705 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
ADRA1A P35348 1/20 0.36
TACR2 P21452 2/20 0.35
TACR1 P25103 2/20 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
SCHEMBL3528335 0.91 SLC6A3 (0.43) SLC6A4SLC6A3SLC6A2JAK2JAK1
SCHEMBL3530380 0.84 JAK2 (0.47) JAK2JAK1TACR1
SCHEMBL6153201 0.82 METAP2 (0.38) MCHR1
SCHEMBL6154363 0.82 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2HTR1AMAPT
SCHEMBL27640160 0.79 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2FPR1FPR2
SCHEMBL5380104 0.78 CCR1 (0.50) MAPT
SCHEMBL3529341 0.76 SLC6A3 (0.43) SLC6A4SLC6A3JAK2JAK1
SCHEMBL3530635 0.76 KDM1A (0.39) MAPTJAK2JAK1
SCHEMBL3528223 0.75 JAK2 (0.46) JAK2JAK1TACR1
SCHEMBL30479381 0.75 JAK2 (0.46) JAK2JAK1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 SLC6A4 1478/4885SLC6A3 1496/4885SLC6A2 931/4885

“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.