SCHEMBL5456428

SCHEMBL5456428

COC(=O)c1cn(CCCN2CCN(CC(=O)N(C)C)CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
NR4A2 P43354 2/20 0.55
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CNR1 P21554 3/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CNR2 P34972 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5448205 0.89 SMN1; SMN2 (0.54) LMNACNR1MAPTSMN1; SMN2CNR2
SCHEMBL5454223 0.89 CNR2 (0.48) GAALMNAL3MBTL1CNR1SMN1; SMN2
SCHEMBL5449197 0.87 NR4A2 (0.57) GAANR4A2LMNAL3MBTL1CNR1
SCHEMBL5450991 0.85 NR4A2 (0.60) GAANR4A2LMNAL3MBTL1CNR1
SCHEMBL5456168 0.84 L3MBTL1 (0.61) GAANR4A2LMNAL3MBTL1CNR1
SCHEMBL5452278 0.83 CNR1 (0.59) GAANR4A2LMNAL3MBTL1CNR1
SCHEMBL5446507 0.82 CNR1 (0.64) GAANR4A2L3MBTL1CNR1TSHR
SCHEMBL5453757 0.82 NR4A2 (0.54) GAANR4A2LMNAL3MBTL1CNR1
SCHEMBL5446521 0.80 HTR1A (0.55) GAANR4A2LMNAL3MBTL1CNR1
Hydrochloric Acid SCHEMBL5444470 0.79 ADRA1D (0.60) GAANR4A2LMNAL3MBTL1CNR1

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 GAA 1095/4885NR4A2 265/4885LMNA 3791/4885

“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.