SCHEMBL7223871

SCHEMBL7223871

CCCC(CC)NC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.63
TAS1R1 Q7RTX1 14/20 0.63
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CTRB1 P17538 2/20 0.55
PRSS1 P07477 1/20 0.55
CTSG P08311 1/20 0.55
CMA1 P23946 1/20 0.55
HPGD P15428 1/20 0.51

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
SCHEMBL13169591 0.93 TAS1R3 (0.70) TAS1R3TAS1R1RAB9ANPC1ALDH1A1
SCHEMBL15146792 0.89 HTT (0.68) TAS1R3TAS1R1RAB9ANPC1HTT
SCHEMBL3693343 0.89 CTRB1 (0.58) TAS1R3TAS1R1RAB9ANPC1HTT
SCHEMBL12471407 0.87 TAS1R3 (0.58) TAS1R3TAS1R1RAB9ANPC1ALDH1A1
SCHEMBL3381007 0.84 HTT (0.57) RAB9AHTTALDH1A1CTRB1PRSS1
SCHEMBL10358851 0.84 HTT (0.57) RAB9AHTTALDH1A1CTRB1PRSS1
SCHEMBL15341680 0.84 ALDH1A1 (0.54) TAS1R3TAS1R1RAB9ANPC1HTT
SCHEMBL11484731 0.83 TAS1R3 (0.60) TAS1R3TAS1R1HTTALDH1A1HPGD
SCHEMBL20625730 0.83 TAS1R3 (0.89) TAS1R3TAS1R1ALDH1A1
SCHEMBL23280913 0.83 HTT (0.56) TAS1R3TAS1R1RAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257415-A1 COMPOUNDS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-08-17 US disclosed
WO-2014011928-A1 PROCESSES AND COMPOSITIONS FOR METHYLATION-BASED ENRICHMENT OF FETAL NUCLEIC ACID FROM A MATERNAL SAMPLE USEFUL FOR NON-INVASIVE PRENATAL DIAGNOSES SEQUENOM, INC. (US) 2014-01-16 WO disclosed
CN-100415750-C Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2008-09-03 CN disclosed
CN-1772749-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2006-05-17 CN disclosed
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN disclosed
CN-1636457-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2005-07-13 CN disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
CN-1043835-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-06-30 CN disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP 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-20230257415-A1 COMPOUNDS FOR TREATING CNS DISORDERS PMP22, SLC18A2, SLC6A1 TAS1R3 3309/4885TAS1R1 2877/4885RAB9A 585/4885

“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.