SCHEMBL2204496

SCHEMBL2204496

CCCN(CCC)[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR3 O14843 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL755798 1.00 FDPS (0.43) FDPSHTR2AHRH1CHRM1AKR1A1
SCHEMBL3200413 0.91 HTR2A (0.41) FDPSHTR2AHRH1CHRM1AKR1A1
SCHEMBL7904494 0.91 HTR2A (0.41) FDPSHTR2AHRH1CHRM1AKR1A1
SCHEMBL28856644 0.86 MMP1 (0.42) HTR2AHRH1CHRM1AKR1A1CHRM3
SCHEMBL28856645 0.86 MMP1 (0.42) HTR2AHRH1CHRM1AKR1A1CHRM3
SCHEMBL8524074 0.84 ACE2 (0.42) TDP1CA2MAPK1TSHRACE2
SCHEMBL10973416 0.84 ACE2 (0.42) TDP1CA2MAPK1TSHRACE2
SCHEMBL8523775 0.84 ACE2 (0.42) TDP1CA2MAPK1TSHRACE2
SCHEMBL21320317 0.83 CA12 (0.34) FDPSCA12CA9PGRTSHR
SCHEMBL12175168 0.83 FDPS (0.41) FDPSHTR2AHRH1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6398857-B1 ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS XEROX CORPORATION 2002-06-04 US claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability SHOFU INC. (JP) 2024-06-18 US disclosed
US-20240084067-A1 NOVEL CURABLE COMPOSITION CONTAINING CYCLIC MONOMER TOKUYAMA CORPORATION (JP) 2024-03-14 US disclosed
EP-4286435-A1 NOVEL CURABLE COMPOSITION CONTAINING CYCLIC MONOMER Tokuyama Corporation (JP) 2023-12-06 EP disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
CN-116806229-A Novel curable composition containing cyclic monomer 株式会社德山 2023-09-26 CN disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
US-20010003647-A1 COREATANT-INCLUDING ELECTROCHEMILUMINESCENT COMPOUNDS, METHODS, SYSTEMS AND KITS UTILIZING SAME BIOVERIS CORPORATION 2001-06-14 US disclosed
WO-1999015694-A1 COREACTANT-INCLUDING ELECTROCHEMILUMINESCENT COMPOUNDS, METHODS, SYSTEMS AND KITS UTILIZING SAME IGEN INTERNATIONAL, INC. (US) 1999-04-01 WO disclosed
EP-0494716-B1 Enzyme-catalysed preparation of optically active carboxylic acids DSM NV (NL) 1996-08-28 EP disclosed
US-5248608-A Enzyme catalyzed stereospecific hdyrolysis DSM N.V. (NL) 1993-09-28 US disclosed
EP-0494716-A2 Enzyme-catalysed preparation of optically active carboxylic acids DSM N.V. (NL) 1992-07-15 EP disclosed
EP-0300448-B1 SEPARATION MEDIUM MITSUBISHI KASEI CORPORATION (JP) 1991-04-24 EP disclosed
US-4851382-A AN OPTICALLY ACTIVE AMINO ACID DERIVATIVE FOR RESOLVING RACEMIC MIXTURES MITSUBISHI KASEI CORPORATION (JP) 1989-07-25 US disclosed
EP-0300448-A2 Separation medium MITSUBISHI KASEI CORPORATION (JP) 1989-01-25 EP disclosed
US-3954845-A Synthetic detergents of the ampholytic betaine type, process for preparing the same and compositions MODOKEMI AKTIEBOLAG (SW) 1976-05-04 US 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 (3 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-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 FDPS 3756/4885HTR2A 2669/4885HRH1 1996/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B FDPS 306/4885HTR2A 3630/4885HRH1 2920/4885
US-12011490-B2 Dental photocurable composition excellent in operability and storage stability H1-0, CCND1, CCNT1 FDPS 2532/4885HTR2A 1658/4885HRH1 242/4885

“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.