SCHEMBL4597778

SCHEMBL4597778

Cc1cccc(C2CNC(=O)N2C2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.52
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
ADRB1 P08588 1/20 0.36
HSD11B1 P28845 2/20 0.36
TP53 P04637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
MAOB P27338 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4597772 1.00 HTR2C (0.52) HTR2CMEN1KMT2APOLBHDAC1
SCHEMBL3815926 0.83 SLC18A3 (0.44) MEN1KMT2ASLC6A2SLC6A4NSD3
SCHEMBL4610243 0.83 SLC18A3 (0.44) MEN1KMT2ASLC6A2SLC6A4NSD3
SCHEMBL4596940 0.82 HDAC1 (0.47) MEN1KMT2APOLBHDAC1HDAC6
SCHEMBL4598376 0.80 HTR2C (0.50) HTR2CMEN1KMT2APOLBHDAC1
SCHEMBL4598369 0.80 HTR2C (0.50) HTR2CMEN1KMT2APOLBHDAC1
SCHEMBL5576017 0.79 GPR119 (0.53) MEN1KMT2AHDAC1HDAC6TP53
SCHEMBL3859776 0.76 MEN1 (0.36) MEN1KMT2ATP53NSD3ALDH1A1
SCHEMBL3860582 0.75 ALDH1A1 (0.39) HTR2CMEN1KMT2APOLBHTR2A
SCHEMBL5573761 0.74 CCR5 (0.51) HTR2C

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 HTR2C 2045/4885MEN1 4855/4885KMT2A 4627/4885

“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.