SCHEMBL5451287

SCHEMBL5451287

COC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.54
NR4A2 P43354 2/20 0.53
CNR1 P21554 4/20 0.52
GAA P10253 1/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 5/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX7 Q99572 1/20 0.48
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5462921 0.90 SMN1; SMN2 (0.55) CNR1LMNASMN1; SMN2CNR2P2RX7
SCHEMBL5452999 0.88 KMT2A (0.52) L3MBTL1CNR1CNR2POLBP2RX7
SCHEMBL14411259 0.88 SMN1; SMN2 (0.55) CNR1SMN1; SMN2CNR2P2RX7PLK1
SCHEMBL5455250 0.87 CNR2 (0.48) CNR1SMN1; SMN2CNR2P2RX7PLK1
SCHEMBL5455285 0.86 KDM4E (0.52) CNR1CNR2P2RX7PLK1
SCHEMBL5452278 0.83 CNR1 (0.59) L3MBTL1TSHRNR4A2CNR1GAA
SCHEMBL5456168 0.83 L3MBTL1 (0.61) L3MBTL1TSHRNR4A2CNR1GAA
SCHEMBL5453757 0.82 NR4A2 (0.54) L3MBTL1TSHRNR4A2CNR1GAA
SCHEMBL5449197 0.81 NR4A2 (0.57) L3MBTL1TSHRNR4A2CNR1GAA
SCHEMBL5450991 0.81 NR4A2 (0.60) L3MBTL1TSHRNR4A2CNR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR L3MBTL1 4494/4885TSHR 87/4885NR4A2 265/4885

“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.