SCHEMBL16796552

SCHEMBL16796552

CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
PDE4B Q07343 1/20 0.40
AKR1C3 P42330 1/20 0.39
NR1D1 P20393 2/20 0.39
PHGDH O43175 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL16796544 1.00 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2USP2
SCHEMBL1681464 1.00 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2USP2
SCHEMBL1994473 0.93 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2PDE4B
SCHEMBL1994474 0.93 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2PDE4B
SCHEMBL2296382 0.87 KMT2A (0.44) MAPTALDH1A1LMNASMN1; SMN2AKR1C3
SCHEMBL2294411 0.87 KMT2A (0.44) MAPTALDH1A1LMNASMN1; SMN2AKR1C3
SCHEMBL2292562 0.85 SMN1; SMN2 (0.55) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2295706 0.85 SMN1; SMN2 (0.55) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL323889 0.84 USP2 (0.46) MAPTSMN1; SMN2USP2PDE4BRECQL
SCHEMBL497161 0.84 USP2 (0.46) MAPTSMN1; SMN2USP2PDE4BRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4430032-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-09-18 EP disclosed
US-20240294458-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-09-05 US disclosed
CN-118251382-A Catalytic hydrogenation of aromatic nitro compounds 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
WO-2023079128-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-11 WO disclosed
WO-2023079128-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-11 WO disclosed
CN-105793430-B Process for the preparation of chiral 2-arylmorpholines 豪夫迈·罗氏有限公司 2020-03-03 CN disclosed
US-10337039-B2 Process for the preparation of chiral 2-aryl morpholines HOFFMANN-LA ROCHE INC. (US) 2019-07-02 US disclosed
US-10337039-B2 Process for the preparation of chiral 2-aryl morpholines HOFFMANN-LA ROCHE INC. (US) 2019-07-02 US disclosed
EP-3080284-B1 PROCESS FOR THE PREPARATION OF A CHIRAL 2-(4-AMINOPHENYL)MORPHOLINE HOFFMANN LA ROCHE (CH) 2017-10-18 EP disclosed
EP-3080284-B1 PROCESS FOR THE PREPARATION OF A CHIRAL 2-(4-AMINOPHENYL)MORPHOLINE HOFFMANN LA ROCHE (CH) 2017-10-18 EP disclosed
EP-3080284-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
WO-2015086495-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 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-10337039-B2 Process for the preparation of chiral 2-aryl morpholines TAAR1, TAAR5, TACR2 MAPT 1295/4885ALDH1A1 400/4885LMNA 3535/4885
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES TAAR1, TAAR5, TACR2 MAPT 1295/4885ALDH1A1 400/4885LMNA 3535/4885
US-20240294458-A1 CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS NOS2, NOS1, NOS3 MAPT 1989/4885ALDH1A1 1088/4885LMNA 1840/4885

“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.