SCHEMBL5456698

SCHEMBL5456698

CC(=O)c1cn(CCCN2CCCN(CCc3ccccc3)CC2)c2c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CNR1 P21554 1/20 0.42
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.40
ADRA1D P25100 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1A P35348 1/20 0.40
MELK Q14680 1/20 0.40

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
SCHEMBL5443063 0.89 OPRM1 (0.43) SIGMAR1CNR1OPRM1SLC6A3ALDH1A1
SCHEMBL5445386 0.88 HTR2A (0.43) PRPS1SIGMAR1CNR1SLC6A3ALDH1A1
SCHEMBL5448792 0.88 OPRM1 (0.44) SIGMAR1OPRM1SLC6A3ALDH1A1KMT2A
SCHEMBL5452539 0.86 PKM (0.45) PRPS1SIGMAR1CNR1ADRA1DALDH1A1
SCHEMBL5447026 0.86 ABCC1 (0.44) SIGMAR1SLC6A3ALDH1A1KMT2AMEN1
SCHEMBL5454795 0.85 POLB (0.48) PRPS1CNR1POLBMAPTKDM4E
SCHEMBL5446902 0.82 ALDH1A1 (0.56) PRPS1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5453001 0.81 CNR2 (0.47) CNR1SLC6A3ALDH1A1MAPT
SCHEMBL5447887 0.81 PKM (0.44) SIGMAR1CNR1ALDH1A1KMT2AMEN1
SCHEMBL5453762 0.80 KCNH2 (0.53) PRPS1CNR1KDM4E

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 PRPS1 4276/4885SIGMAR1 175/4885CNR1 65/4885

“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.