SCHEMBL6339887

SCHEMBL6339887

NCCC1COc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
PSMB5 P28074 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAOB P27338 1/20 0.38
CYP19A1 P11511 1/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 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
Hydrochloric Acid SCHEMBL29960409 0.98 HTR2C (0.54) HTR1AHTR1DHTR2CHTR2AHRH1
SCHEMBL506552 0.85 CYP2D6 (0.47) HTR1AHTR1DHTR2CHTR2AHRH1
SCHEMBL29960536 0.82 KCNH2 (0.44) HTR1AHTR1DHTR2CHTR2AHRH1
SCHEMBL8647207 0.81 LTB4R (0.45) HTR1AHTR1DHTR2CLTB4RLTB4R2
SCHEMBL14124137 0.81 LTB4R (0.41) HTR1AHTR1DHTR2CLTB4RLTB4R2
SCHEMBL10282172 0.81 HTR2B (0.43) HTR1AHTR1DHTR2CLTB4RLTB4R2
Hydrochloric Acid SCHEMBL29960253 0.81 KCNH2 (0.44) HTR1AHTR1DHTR2CHTR2AHRH1
SCHEMBL2316931 0.77 LTB4R (0.47) HTR2CLTB4RLTB4R2CYP2D6SLC6A2
SCHEMBL2688677 0.77 LTB4R (0.44) HTR2CLTB4RLTB4R2CYP2D6SLC6A2
SCHEMBL6099078 0.77 LTB4R (0.47) HTR2CLTB4RLTB4R2CYP2D6SLC6A2

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-6849649-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. (US) 2005-02-01 US disclosed
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC 2004-06-03 US disclosed
EP-1373192-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD Pfizer Limited (GB) 2004-01-02 EP disclosed
US-6660756-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-12-09 US disclosed
US-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-06-05 US disclosed
WO-2002079143-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD PFIZER LIMITED (GB) 2002-10-10 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 (2 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-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP HTR1A 1204/4885HTR1D 1045/4885HTR2C 415/4885
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP HTR1A 920/4885HTR1D 743/4885HTR2C 353/4885

“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.