SCHEMBL4478039

SCHEMBL4478039

CC1(c2ccccn2)CCC(=O)NC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
CRBN Q96SW2 7/20 0.38
DDB1 Q16531 4/20 0.37
CXCR3 P49682 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
TSHR P16473 1/20 0.35
VNN1 O95497 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GRM4 Q14833 1/20 0.33
IKBKB O14920 1/20 0.33
RAF1 P04049 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
KDR P35968 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PRKAG1 P54619 1/20 0.33

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
SCHEMBL20073724 0.80 MEN1 (0.40) SLC6A2CRBNDDB1GRIN1GRIN2A
SCHEMBL15037442 0.77 OPRM1 (0.45) CXCR3TSHRALDH1A1OPRM1OPRL1
SCHEMBL748566 0.77 SLC6A2 (0.39) SLC6A2CRBNDDB1GRIN1GRIN2A
SCHEMBL1515317 0.75 GRIN1 (0.46) SLC6A2GRIN1GRIN2AGRIN2BVNN1
SCHEMBL31584687 0.75 SLC6A2 (0.37) SLC6A2CRBNDDB1CXCR3GRIN1
SCHEMBL21989897 0.74 SLC6A2 (0.45) SLC6A2GRIN1GRIN2AGRIN2BTSHR
SCHEMBL29658709 0.74 SLC6A2 (0.45) SLC6A2GRIN1GRIN2AGRIN2BTSHR
Hydrochloric Acid SCHEMBL5874289 0.74 SLC6A2 (0.40) SLC6A2GRIN1GRIN2AGRIN2BTSHR
Hydrochloric Acid SCHEMBL5874197 0.74 SLC6A2 (0.40) SLC6A2GRIN1GRIN2AGRIN2BTSHR
SCHEMBL4477246 0.73 ALDH1A1 (0.45) SLC6A2GRIN1GRIN2AGRIN2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
CN-1809576-A Antiparasitic terpene alkaloids PFIZER (US) 2006-07-26 CN disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 SLC6A2 1939/4885CRBN 4774/4885DDB1 3188/4885

“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.