SCHEMBL18587334

SCHEMBL18587334

C#CCOC(=O)N1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRM1 P11229 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C19 P33261 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 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
SCHEMBL4275238 0.85 ALDH1A1 (0.42) GAAALDH1A1NPC1SMN1; SMN2CHRM1
SCHEMBL12293104 0.84 GAA (0.47) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8313778 0.83 GAA (0.42) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17714542 0.82 GAA (0.41) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12928342 0.81 GAA (0.49) GAAALDH1A1SMN1; SMN2CHRM1L3MBTL1
SCHEMBL12347952 0.81 ALDH1A1 (0.40) GAAALDH1A1NPC1SMN1; SMN2CHRM1
SCHEMBL12898880 0.80 GAA (0.44) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12988938 0.80 GAA (0.47) GAAALDH1A1SMN1; SMN2CHRM1L3MBTL1
SCHEMBL23254247 0.79 ALDH1A1 (0.42) GAAALDH1A1NPC1SMN1; SMN2CHRM1
SCHEMBL18587995 0.79 GAA (0.39) GAAALDH1A1NPC1RAB9ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344630-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-09 EP disclosed
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 US disclosed
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-11 US disclosed
EP-3458453-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2019-03-27 EP disclosed
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-09-06 US disclosed
EP-3344630-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS Idorsia Pharmaceuticals Ltd (CH) 2018-07-11 EP disclosed
WO-2017198647-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-23 WO disclosed
WO-2017037221-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 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 (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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 GAA 1950/4885ALDH1A1 40/4885NPC1 790/4885
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds MRPL21, MRM1, MT-CO1 GAA 2285/4885ALDH1A1 103/4885NPC1 2629/4885
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS MRPL21, MRM1, MT-CO1 GAA 2285/4885ALDH1A1 103/4885NPC1 2629/4885

“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.