SCHEMBL3636645

SCHEMBL3636645

N#CC(c1cccc2ccccc12)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
NCF1 P14598 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
MTOR P42345 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL3637394 0.80 HTR2A (0.41) SLC6A4CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL11363222 0.77 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL11351739 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL8191324 0.74 CHRNB4 (0.46) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2586181 0.73 CHRNB4 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL553891 0.72 CHRM1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL553892 0.72 CHRM1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL554969 0.72 CHRM1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL13044647 0.70 GPR119 (0.46) KDM4E
SCHEMBL27602181 0.69 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R SLC6A2 555/4885SLC6A4 529/4885SLC6A3 420/4885

“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.