(S)-Willardiine

(S)-Willardiine

SCHEMBL401191

N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.56
GRIA2 P42262 6/20 0.56
GRIA4 P48058 6/20 0.56
GRIK5 Q16478 6/20 0.56
CYP1A2 P05177 3/20 0.56
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
GRIA3 P42263 1/20 0.56
PKM P14618 1/20 0.53
DUT P33316 3/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
(S)-Willardiine SCHEMBL438494 1.00 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL666953 0.86 GRM5 (0.50) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL3635924 0.81 DUT (0.57) KMT2AKDM4EPKMDUTALDH1A1
SCHEMBL7136481 0.81 PKM (0.56) PKMDUTALDH1A1LMNA
SCHEMBL5001166 0.78 DUT (0.51) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL667078 0.78 PKM (0.61) PKMDUTALDH1A1LMNA
SCHEMBL14478216 0.78 PKM (0.61) PKMDUTALDH1A1LMNA
SCHEMBL23873265 0.78 PKM (0.60) PKMDUTALDH1A1LMNA
SCHEMBL4311546 0.77 DUT (0.50) KMT2AKDM4EPKMDUTALDH1A1
SCHEMBL5000786 0.77 DUT (0.50) KMT2AKDM4EPKMDUTALDH1A1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303549-B2 Methods of treating or inhibiting onset of Huntington's disease UNIVERSITY OF ROCHESTER (US) 2025-05-20 US disclosed
US-20250152601-A1 Compositions and Methods for the Treatment of Sexual Dysfunctions THE JONATHAN HURT LIVING TRUST (US) 2025-05-15 US disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20220062378-A1 METHODS OF TREATING OR INHIBITING ONSET OF HUNTINGTON'S DISEASE UNIVERSITY OF COPENHAGEN (DK) 2022-03-03 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
EP-3810184-A2 METHODS OF TREATING OR INHIBITING ONSET OF HUNTINGTON'S DISEASE University of Rochester (US) 2021-04-28 EP disclosed
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 US disclosed
CN-1898201-A Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION INC (US) 2007-01-17 CN disclosed
EP-1689704-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS CoLucid Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
WO-2005042475-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS SENTION, INC. (US) 2005-05-12 WO disclosed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US disclosed
US-20050037445-A1 Oncology drug innovation POULSEN, HANS SKOVGAARD (DK) 2005-02-17 US disclosed
EP-1446501-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF Buadbo APS (DK) 2004-08-18 EP disclosed
WO-2003000928-A2 METHODS FOR IDENTIFICATION OF CANCER CELL SURFACE MOLECULES AND CANCER SPECIFIC PROMOTERS, AND THERAPEUTIC USES THEREOF BUADBO APS (DK) 2003-01-03 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 (4 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR GRIA1 4078/4885GRIA2 3900/4885GRIA4 3805/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR GRIA1 4078/4885GRIA2 3900/4885GRIA4 3805/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT GRIA1 1432/4885GRIA2 1522/4885GRIA4 1222/4885
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents ACHE, BCHE, CHAT GRIA1 1565/4885GRIA2 1427/4885GRIA4 1051/4885

“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.