SCHEMBL4661340

SCHEMBL4661340

[CH2]C(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
AGXT P21549 2/20 0.38
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AOC3 Q16853 1/20 0.38
RIPK1 Q13546 2/20 0.37
TRPA1 O75762 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOB P27338 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
SCHEMBL28210190 0.82 HPGD (0.41) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL2615503 0.80 ESR1 (0.58) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL72988 0.80 ESR1 (0.58) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL4930066 0.76 ESR1 (0.43) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL349725 0.76 SLC6A2 (0.61) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL25343157 0.76 LOXL2 (0.48) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL13655576 0.76 IDO1 (0.42) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL3934371 0.76 IDO1 (0.42) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL9025476 0.76 TRPA1 (0.44) IDO1LOXL2TAAR1HPGDLMNA
SCHEMBL3160096 0.76 ESR1 (0.42) IDO1LOXL2TAAR1HPGDLMNA

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
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 IDO1 1098/4885LOXL2 1385/4885TAAR1 218/4885

“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.