SCHEMBL5454463

SCHEMBL5454463

COc1cccc2c(C#N)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
DPP4 P27487 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CNR2 P34972 2/20 0.38
HTR2A P28223 2/20 0.38
CCR3 P51677 2/20 0.38
CNR1 P21554 2/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL5454691 0.84 TSHR (0.48) TSHRNPSR1MAPTLMNAMAPK1
SCHEMBL5452640 0.84 ALDH1A1 (0.48) NPSR1MAPTMEN1KMT2ACHRNB2
SCHEMBL14463834 0.83 TSHR (0.51) TSHRNPSR1MAPTLMNAMAPK1
SCHEMBL5446527 0.82 CNR1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL5446388 0.81 CNR2 (0.51) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL5446533 0.80 ALDH1A1 (0.42) TSHRLMNADPP4CHRNB2CHRNB4
SCHEMBL5452267 0.80 TSHR (0.40) TSHRNPSR1MAPTLMNAMAPK1
SCHEMBL5451547 0.78 PDE10A (0.47) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5378744 0.77 CNR2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL5443022 0.75 PRPS1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CNR2

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 4 patents. 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
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 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 (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 TSHR 87/4885NPSR1 33/4885MAPT 4523/4885

“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.