SCHEMBL3096867

SCHEMBL3096867

O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
SLC18A3 Q16572 2/20 0.47
MGLL Q99685 4/20 0.47
LMNA P02545 3/20 0.45
SLC6A7 Q99884 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL13157956 1.00 TSHR (0.49) TSHRRECQLSLC18A3MGLLLMNA
SCHEMBL13158009 0.86 FASN (0.46) TSHRSLC18A3MGLLLMNASLC6A7
SCHEMBL3092760 0.86 FASN (0.46) TSHRSLC18A3MGLLLMNASLC6A7
SCHEMBL3105142 0.85 POLB (0.55) SLC18A3MGLLLMNAPOLBMEN1
SCHEMBL13157795 0.85 POLB (0.55) SLC18A3MGLLLMNAPOLBMEN1
SCHEMBL13158203 0.85 POLB (0.55) SLC18A3MGLLLMNAPOLBMEN1
SCHEMBL3088647 0.83 MBTD1 (0.46) SLC18A3MGLLLMNAMEN1KMT2A
SCHEMBL13157694 0.83 CHRM2 (0.47) TSHRSLC18A3MGLLLMNAPOLB
SCHEMBL3098517 0.83 CHRM2 (0.47) TSHRSLC18A3MGLLLMNAPOLB
SCHEMBL13157824 0.83 MBTD1 (0.46) SLC18A3MGLLLMNAMEN1KMT2A

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 TSHR 696/4885RECQL 3092/4885SLC18A3 2263/4885

“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.