SCHEMBL5454286

SCHEMBL5454286

COC(=O)c1cn(CCCN2CCC(c3ccccc3OC)CC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HRH2 P25021 3/20 0.54
DRD2 P14416 1/20 0.53
POLB P06746 1/20 0.52
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
NR4A2 P43354 1/20 0.51
CNR1 P21554 4/20 0.51
CNR2 P34972 3/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5446820 0.92 SMN1; SMN2 (0.61) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL5453370 0.90 KMT2A (0.58) MAPTSMN1; SMN2NPSR1ALDH1A1HRH2
SCHEMBL14411257 0.90 SMN1; SMN2 (0.61) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL5440970 0.89 HRH2 (0.51) MAPTSMN1; SMN2NPSR1ALDH1A1HRH2
SCHEMBL5338373 0.88 HRH2 (0.50) MAPTSMN1; SMN2NPSR1ALDH1A1HRH2
SCHEMBL5453899 0.86 KMT2A (0.58) MAPTSMN1; SMN2NPSR1ALDH1A1HRH2
SCHEMBL5424312 0.86 L3MBTL1 (0.56) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL5454214 0.83 DRD2 (0.52) MAPTSMN1; SMN2NPSR1ALDH1A1HRH2
SCHEMBL5450033 0.83 ADRA1D (0.58) MAPTNPSR1ALDH1A1HRH2DRD2
SCHEMBL5460381 0.82 HRH2 (0.57) SMN1; SMN2HRH2DRD2HTR2AHTR2C

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 MAPT 4523/4885LMNA 3791/4885SMN1; SMN2 1701/4885

“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.