SCHEMBL2797152

SCHEMBL2797152

O=C(COc1ccc(Cl)cc1-c1ccno1)N1CCOC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR1 P32246 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
SCHEMBL2798418 0.81 CCR1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2795850 0.81 SMN1; SMN2 (0.50) PTGDR2SMN1; SMN2LMNAHTTHPGD
SCHEMBL4634356 0.78 PTGDR2 (0.49) PTGDR2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2797155 0.75 PTGDR2 (0.45) PTGDR2CCR1
SCHEMBL6076247 0.74 CCR1 (0.71) PTGDR2CCR1
SCHEMBL2793495 0.73 CCR1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL2792743 0.71 PTGDR2 (0.79) PTGDR2TSHRMAPT
SCHEMBL3355815 0.71 CYP19A1 (0.36) MEN1KMT2AALDH1A1CYP19A1
SCHEMBL2794692 0.69 CCR1 (0.59) SMN1; SMN2LMNAHTTHPGDTSHR
SCHEMBL13229847 0.68 PTGDR2 (0.62) PTGDR2ALDH1A1LMNAHPGDTSHR

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
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US claimed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 PTGDR2 251/4885MEN1 4235/4885KMT2A 4409/4885

“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.