SCHEMBL3244441

SCHEMBL3244441

CCCCCCN(C)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
DNM1 Q05193 5/20 0.48
EPHX2 P34913 6/20 0.46
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TP53 P04637 1/20 0.41
GGPS1 O95749 3/20 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
SCHEMBL11256990 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL11243175 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL9700518 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL7594880 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL2576617 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL9698119 1.00 ALDH1A1 (0.48) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL9699184 0.98 ALDH1A1 (0.44) ALDH1A1TSHRDNM1EPHX2S1PR2
SCHEMBL5286753 0.91
SCHEMBL11680465 0.82 FAAH (0.39) ALDH1A1TSHREPHX2
SCHEMBL11046710 0.81 EPHX2 (0.62) ALDH1A1TSHRDNM1EPHX2S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 WO disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
CN-1281346-A Novel fluorescent reporter molecules and their applications, including assays for caspases CYTOVIA INC (US) 2001-01-24 CN disclosed
US-4053298-A HERBICIDAL COMPOSITIONS CONTAINING 1-THIADIAZOLYL-6-CARBAMOYLOXYTETRAHYDROPYRIMIDINONES AND METHODS THEREFOR VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-3951976-A 1-Thiadiazoly-6-carbamoyloxytetrahydropyrimidinones VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 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 (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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 893/4885TSHR 4762/4885DNM1 43/4885

“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.