Sugi Predict

Sugi Predict / Compounds / SCHEMBL3737439

SCHEMBL3737439

SCHEMBL3737439

COC(=O)C1CN(C(C)C)CCC1N1CC[C@H](N)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ CYP1A2 P05177 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3737436 1.00 DPP4 (0.41) DPP4CYP1A2HIF1ACYP3A4TSHR
SCHEMBL3739141 0.86 DPP4 (0.43) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL20621391 0.76 SLC6A2 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL20621258 0.76 SLC6A2 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL19769018 0.76 SLC6A2 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL19769001 0.76 SLC6A2 (0.38) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL3745159 0.74 CCR2 (0.41) —
SCHEMBL3745163 0.74 CCR2 (0.41) —
SCHEMBL5823609 0.74 CCR2 (0.41) —
SCHEMBL3745156 0.74 CCR2 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 — — US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 — — US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 — — US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 — — US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — 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 (3 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 DPP4 2934/4885CYP1A2 3692/4885HIF1A 1994/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 DPP4 2934/4885CYP1A2 3692/4885HIF1A 1994/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 DPP4 2934/4885CYP1A2 3692/4885HIF1A 1994/4885

“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.