SCHEMBL4471852

SCHEMBL4471852

CON(C)C(=O)C1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.44
GLI1 P08151 1/20 0.40
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A3 Q01959 4/20 0.33
NOS2 P35228 2/20 0.33
SLC6A2 P23975 2/20 0.33
PRCP P42785 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
SLC6A4 P31645 1/20 0.33
DHFR P00374 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL17923205 1.00 SCN4A (0.44) SCN4AGLI1TSHRCYP3A4CYP2D6
SCHEMBL2089847 0.95 SCN4A (0.49) SCN4AGLI1CYP3A4CYP2D6NOS2
SCHEMBL2089850 0.95 SCN4A (0.49) SCN4AGLI1CYP3A4CYP2D6NOS2
SCHEMBL2646428 0.95 SCN4A (0.49) SCN4AGLI1CYP3A4CYP2D6NOS2
Hydrochloric Acid SCHEMBL6863623 0.93 SCN4A (0.48) SCN4AGLI1CYP3A4CYP2D6NOS2
SCHEMBL30345003 0.89 SCN4A (0.38) SCN4AGLI1NOS2PRCPNOS3
SCHEMBL16992331 0.81 GLI1 (0.58) SCN4AGLI1NOS2PRCPNOS3
SCHEMBL3832254 0.81 GLI1 (0.58) SCN4AGLI1NOS2PRCPNOS3
SCHEMBL2917600 0.81 GLI1 (0.58) SCN4AGLI1NOS2PRCPNOS3
Hydrochloric Acid SCHEMBL4590185 0.79 GLI1 (0.56) SCN4AGLI1NOS2PRCPNOS3

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-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
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 SCN4A 3215/4885GLI1 2092/4885TSHR 2232/4885

“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.