SCHEMBL977889

SCHEMBL977889

CC(C)CCC(CN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.61
SLC1A2 P43004 3/20 0.61
SLC1A1 P43005 2/20 0.61
GABRR1 P24046 2/20 0.44
ADRA1A P35348 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC7A5 Q01650 1/20 0.39
CACNA2D1 P54289 2/20 0.39
CPB2 Q96IY4 2/20 0.39
CACNB3 P54284 1/20 0.39

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
SCHEMBL5378219 1.00 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
Hydrochloric Acid SCHEMBL15688771 0.98 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL3994717 0.88 SLC1A2 (0.50) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL9115232 0.85 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL3996075 0.85 CPB2 (0.50) SLC1A3SLC1A2SLC1A1GABRR1CPB2
SCHEMBL5592479 0.84 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL1817121 0.83 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL1814055 0.83 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL15080320 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A
SCHEMBL622838 0.80 CHRM1 (0.43) SLC1A3SLC1A2SLC1A1GABRR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099482-A Stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid esters SANDOZ AG 2011-06-15 CN claimed
EP-0830338-A1 METHOD OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID WARNER-LAMBERT COMPANY (US) 1998-03-25 EP claimed
WO-1996040617-A1 METHOD OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID WARNER-LAMBERT COMPANY (US) 1996-12-19 WO claimed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 US disclosed
EP-4114379-A1 METHODS AND COMPOSITIONS FOR TREATING CANNABIS USE DISORDER AND MITIGATING CANNABINOID WITHDRAWAL Pleopharma, L.L.C. (US) 2023-01-11 EP disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents ON TARGET THERAPEUTICS LLC (US) 2022-02-22 US disclosed
WO-2020185712-A1 METHODS FOR TREATING SLEEP FRAGMENTATION DISORDERS ALAIRION, INC. (US) 2020-09-17 WO disclosed
CN-105085302-B Pregabalin intermediate mother liquor and wastewater reuse method 浙江华海药业股份有限公司 2020-09-15 CN disclosed
CN-110072521-A Pharmaceutical combination comprising a T-type calcium channel blocker 爱杜西亚药品有限公司 2019-07-30 CN disclosed
US-20020087017-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts HOGE GARRETT STEWART (US) 2002-07-04 US disclosed
WO-2002048161-A1 P-CHIRALE BISPHOSPHOLANE LIGANDS, THEIR TRANSITION METAL COMPLEXES WARNER-LAMBERT COMPANY LLC (US) 2002-06-20 WO disclosed
EP-1202725-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES UNIVERSITY OF ROCHESTER (US) 2002-05-08 EP disclosed
EP-1180058-A1 COMBINATIONS OF GABA ANALOGS AND TRICYCLIC COMPOUNDS TO TREAT DEPRESSION WARNER-LAMBERT COMPANY (US) 2002-02-20 EP disclosed
US-6310098-B1 PROVIDING GAMMA-BUTYRIC ACID, SALT OR ANALOG WHICH BINDS AN ALPHA2DELTA SUBUNIT OF A VOLTAGE-GATED CALCIUM CHANNEL AND ADMINISTERING ABOVE COMPOUND TO A PATIENT EXPERIENCING HOT FLASHES UNIVERSITY OF ROCHESTER 2001-10-30 US disclosed
EP-1094803-A2 USE OF GABA-ANALOGUES FOR TREATING INSOMIA WARNER-LAMBERT COMPANY (US) 2001-05-02 EP disclosed
WO-2001007037-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES UNIVERSITY OF ROCHESTER (US) 2001-02-01 WO disclosed
WO-2000061234-A1 COMBINATIONS OF GABA ANALOGS AND TRICYCLIC COMPOUNDS TO TREAT DEPRESSION WARNER-LAMBERT COMPANY (US) 2000-10-19 WO disclosed
WO-2000002546-A2 USE OF CABA-ANALOGUES FOR TREATING INSOMNIA WARNER-LAMBERT COMPANY (US) 2000-01-20 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 (5 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-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG SLC1A3 4446/4885SLC1A2 4649/4885SLC1A1 4551/4885
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents LDLR, HDLBP, LIPG SLC1A3 4446/4885SLC1A2 4649/4885SLC1A1 4551/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG SLC1A3 4446/4885SLC1A2 4649/4885SLC1A1 4551/4885
US-20020087017-A1 Synthesis of P-chiral bisphospholane ligands and their transition metal complexes for use as asymmetric hydrogenation catalysts PHOSPHO1, BPGM, PHPT1 SLC1A3 1203/4885SLC1A2 1956/4885SLC1A1 1795/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR SLC1A3 4779/4885SLC1A2 4790/4885SLC1A1 4818/4885

“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.