SCHEMBL4485950

SCHEMBL4485950

CCOC(=O)[C@@H]1CC2(CC[C@H]1N[C@H](C)c1ccccc1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR1 P32246 1/20 0.39
LMNA P02545 1/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 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
SCHEMBL3680990 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL3680993 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL5033579 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL12667950 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2993771 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4460390 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4485945 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL3745167 1.00 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
Bromide SCHEMBL1770934 0.99 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4472116 0.92 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7541468-B2 Process of preparing N-ureidoalkyl-piperidines BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541468-B2 Process of preparing N-ureidoalkyl-piperidines BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20040259914-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-12-23 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 (2 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-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ACKR3, CCR7, CCR2 ALDH1A1 914/4885TSHR 1168/4885L3MBTL1 4872/4885
US-20040259914-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCR1, CXCR1 ALDH1A1 671/4885TSHR 1177/4885L3MBTL1 4850/4885

“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.