SCHEMBL249580

SCHEMBL249580

OC[C@@H]1CCCC[C@@H]1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
FUCA1 P04066 1/20 0.45
GRIN2B Q13224 2/20 0.44
SSTR3 P32745 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
FYN P06241 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9974888 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL11398300 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL6081694 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL11398297 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL249581 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL249579 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL1846156 0.97 LTA4H (0.56) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7247232 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7177046 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7247234 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
US-7820715-B2 Crystal comprising (2R)-2-propyloctanoic acid and amine ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US claimed
US-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US claimed
EP-1741697-A1 CRYSTAL COMPRISING (2R)-2-PROPYLOCTOIC ACID AND AMINE ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
EP-0590685-B1 Process for optical resolution of (+)-cis-4-aminocyclopent-2-en-1-carboxylic acid derivative KURARAY CO (JP) 1996-05-29 EP claimed
US-5371282-A Process for optical resolution of (+)-cis-4-aminocyclopent-2-en-1-carboxylic acid derivative KURARAY CO., LTD. (JP) 1994-12-06 US claimed
EP-0590685-A1 Process for optical resolution of (+)-cis-4-aminocyclopent-2-en-1-carboxylic acid derivative KURARAY CO., LTD. (JP) 1994-04-06 EP claimed
JP-3074347-A None JP disclosed
JP-55033440-A None JP disclosed
JP-58029753-A None JP disclosed
JP-11043475-A None JP disclosed
JP-5222370-A None JP disclosed
JP-59161371-A None JP disclosed
EP-0315996-A2 Optically active compound, process for producing same and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed
EP-0084856-B1 5,6,7-TRINOR-4, 8-INTER-M-PHENYLENE PROSTAGLANDIN I2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1986-11-20 EP disclosed
US-4474802-A 5,6,7-Trinor-4,8-inter-m-phenylene prostaglandin I2 derivatives useful in anti-ulcer, hypotensive and platelet aggregation inhibiting compositions TORAY INDUSTRIES, INC. (JP) 1984-10-02 US disclosed
JP-S59161371-A (-)-(7-BROMO-3A,8B-CIS-DIHYDRO-3H-CYCLOPENTA(B)-BENZOFURAN-5-YL)FORMIC ACID TORAY IND INC 1984-09-12 JP disclosed
EP-0084856-A1 5,6,7-Trinor-4, 8-inter-m-phenylene prostaglandin I2 derivatives TORAY INDUSTRIES, INC. (JP) 1983-08-03 EP disclosed
JP-S5829753-A OPTICAL RESOLUTION OF (+-)-3-ENDO-BENZAMIDE-5-NORBORNENE-2-ENDO-CARBOXYLIC ACID NOHIRA HIROYUKI 1983-02-22 JP disclosed
JP-S5533440-A OPTICALLY ACTIVE BENZYL(2-HYDROXYMETHYLCYCLOHEXYL) AMINE, ITS PREPARATION, AND ITS OPTICAL RESOLUTION NOHIRA HIROYUKI 1980-03-08 JP 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 (2 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-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine TAS2R5, FFAR2, HRH2 LTA4H 2303/4885KDM1A 2966/4885MAOA 262/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 LTA4H 1391/4885KDM1A 807/4885MAOA 3263/4885

“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.