SCHEMBL4598037

SCHEMBL4598037

c1ccc(C2COC(=Nc3cccnc3)N2C2CCNCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA7 P36544 4/20 0.38
TNKS O95271 2/20 0.36
KDM1A O60341 1/20 0.35
MEN1 O00255 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL4598035 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA7TNKSKDM1A
SCHEMBL4598031 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA7TNKSKDM1A
SCHEMBL4598206 0.89 SLC18A3 (0.38) KDM1AMEN1CYP2D6KMT2ASMN1; SMN2
SCHEMBL4598197 0.89 SLC18A3 (0.38) KDM1AMEN1CYP2D6KMT2ASMN1; SMN2
SCHEMBL4598200 0.89 SLC18A3 (0.38) KDM1AMEN1CYP2D6KMT2ASMN1; SMN2
SCHEMBL5572383 0.79 GPR119 (0.47) SMN1; SMN2
SCHEMBL5572385 0.79 GPR119 (0.47) SMN1; SMN2
SCHEMBL3757393 0.78 CCR5 (0.38) TNKSALDH1A1
SCHEMBL3822593 0.78 CCR5 (0.36) CHRNB2CHRNA4CHRNA7TNKSCYP2D6
SCHEMBL3757389 0.78 CCR5 (0.38) TNKSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CHRNB2 2126/4885CHRNA4 832/4885CHRNA7 1972/4885

“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.