SCHEMBL5481603

SCHEMBL5481603

CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.46
PRPS1 P60891 3/20 0.42
SCD O00767 6/20 0.39
CNR1 P21554 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL5460659 0.93 PRPS1 (0.45) PRPS1SCDCNR1KMT2ASMN1; SMN2
SCHEMBL14410851 0.90 CNR2 (0.46) PRPS1CNR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5452685 0.90 HRH2 (0.45) HRH2PRPS1SCDCNR1KMT2A
SCHEMBL14464421 0.90 SCD (0.39) PRPS1SCDKMT2ASMN1; SMN2
SCHEMBL5453021 0.87 PRPS1 (0.43) HRH2PRPS1CNR1
SCHEMBL14410848 0.86 SMN1; SMN2 (0.53) HRH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5453047 0.86 PRPS1 (0.41) HRH2PRPS1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5453087 0.86 HRH3 (0.42) HRH2PRPS1CNR1
Hydrochloric Acid SCHEMBL5455004 0.85 SMN1; SMN2 (0.52) HRH2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14411850 0.85 PRPS1 (0.43) HRH2PRPS1CNR1

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 3 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

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 HRH2 418/4885PRPS1 4276/4885SCD 1005/4885

“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.