SCHEMBL5453757

SCHEMBL5453757

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
CNR1 P21554 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
CNR2 P34972 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.46
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

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
SCHEMBL5448762 0.89 SMN1; SMN2 (0.56) CNR1SMN1; SMN2CNR2POLBALDH1A1
SCHEMBL5449197 0.88 NR4A2 (0.57) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5457612 0.88 CNR2 (0.46) CNR1SMN1; SMN2MAPTCNR2NPSR1
SCHEMBL5456168 0.84 L3MBTL1 (0.61) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5451287 0.82 L3MBTL1 (0.54) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5456428 0.82 GAA (0.56) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5450991 0.82 NR4A2 (0.60) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5452278 0.82 CNR1 (0.59) NR4A2CNR1L3MBTL1TSHRGAA
SCHEMBL5446521 0.79 HTR1A (0.55) NR4A2CNR1L3MBTL1TSHRGAA
Hydrochloric Acid SCHEMBL5444470 0.78 ADRA1D (0.60) NR4A2CNR1L3MBTL1TSHRGAA

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 NR4A2 265/4885CNR1 65/4885L3MBTL1 4494/4885

“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.