SCHEMBL4464599

SCHEMBL4464599

O=C(N[C@@H]1CCC2(C[C@H]1CO)OCCO2)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CPB1 P15086 2/20 0.46
TSHR P16473 1/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 1/20 0.42
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSS P25774 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2993479 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL2993483 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL2993481 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4464606 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4474785 0.92 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL13815948 0.92 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL12096431 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4083850 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4270200 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4270198 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A

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 11 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-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-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 914/4885GAA 3643/4885CPB1 950/4885
US-20040259914-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCR1, CXCR1 ALDH1A1 671/4885GAA 3829/4885CPB1 814/4885

“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.