SCHEMBL4070387

SCHEMBL4070387

CC1(N)CCCc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRL1 P41146 1/20 0.32
TSHR P16473 1/20 0.31
NR3C1 P04150 1/20 0.31
F2 P00734 1/20 0.31
CXCR4 P61073 1/20 0.30
PTPN11 Q06124 1/20 0.30
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2148122 0.79 OPRL1 (0.42) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL24125123 0.79 KDM1A (0.36) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL15469383 0.78 KDM1A (0.36) KDM1AMEN1KMT2ASIGMAR1CXCR4
SCHEMBL23353852 0.77 NR3C1 (0.36) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL27596035 0.77 MEN1 (0.36) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL22743950 0.76 MEN1 (0.38) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL20851457 0.76 NR3C1 (0.38) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL22275903 0.76 KDM1A (0.33) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL20851456 0.76 KDM1A (0.33) KDM1AMEN1KMT2ASIGMAR1OPRL1
SCHEMBL22275905 0.76 NR3C1 (0.38) KDM1AMEN1KMT2ASIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KDM1A 4851/4885MEN1 4289/4885KMT2A 4522/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 KDM1A 4836/4885MEN1 4595/4885KMT2A 4512/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KDM1A 4851/4885MEN1 4289/4885KMT2A 4522/4885

“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.