SCHEMBL170248

SCHEMBL170248

C1C[N]C(N2CCOCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
CYP2A13 Q16696 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL948434 0.94 ALDH1A1 (0.32) SMN1; SMN2CYP2A13ALDH1A1HPGD
SCHEMBL1582708 0.92 MAPT (0.33) SMN1; SMN2CYP2A13ALDH1A1HPGD
SCHEMBL2778573 0.84
SCHEMBL2241191 0.81
SCHEMBL236881 0.81 CYP2D6 (0.30)
SCHEMBL731008 0.79
SCHEMBL969556 0.77
SCHEMBL157427 0.75 CYP2D6 (0.33)
SCHEMBL1428236 0.75
SCHEMBL12466533 0.74 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 US claimed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP claimed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 US claimed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US claimed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 US claimed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US claimed
US-7605156-B2 Methods for the use of inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-10-20 US claimed
US-7541359-B2 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-02 US claimed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US claimed
EP-2010187-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-01-07 EP claimed
US-7087631-B2 Aryltetrazole compounds, and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-08-08 US claimed
US-7078423-B2 5-Aryltetrazole compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION (US) 2006-07-18 US claimed
WO-2006041874-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2006-04-20 WO claimed
EP-1542980-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR Inotek Pharmaceuticals Corporation (US) 2005-06-22 EP claimed
US-20040116423-A1 5-Aryltetrazole compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-06-17 US claimed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO claimed
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-01-29 US claimed
US-6063181-A 1,7-disubstituted perylene-3,4,9, 10-tetracarboxylic acids, their dianhydrides and diimides of said acids BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US claimed
EP-0213718-B1 1-DIMETHYLCARBAMOYL-3-SUBSTITUTED-5-SUBSTITUTED-1H-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1991-06-12 EP claimed
EP-0213718-A2 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1987-03-11 EP claimed

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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SMN1; SMN2 76/4885CYP2A13 2910/4885ALDH1A1 1938/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SMN1; SMN2 76/4885CYP2A13 2910/4885ALDH1A1 1938/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 SMN1; SMN2 894/4885CYP2A13 1871/4885ALDH1A1 1225/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 SMN1; SMN2 1033/4885CYP2A13 2247/4885ALDH1A1 1321/4885
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor CASP5, NLRP3, LITAF SMN1; SMN2 3942/4885CYP2A13 421/4885ALDH1A1 944/4885

“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.