SCHEMBL320332

SCHEMBL320332

CCc1cccc(Cl)c1C=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PNMT P11086 2/20 0.39
HSP90AA1 P07900 1/20 0.37
AR P10275 1/20 0.36
IDO1 P14902 1/20 0.35
AHR P35869 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL17974654 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL320588 0.84 GABRA1 (0.50) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL26028903 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL15653839 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL15654024 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL19880549 0.82 KMT2A (0.45) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL8262686 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL321351 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1GABRA1
SCHEMBL96214 0.79 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ATDP1LMNA
Diethylamine SCHEMBL11627853 0.79 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-2935230-B1 HERBICIDALLY ACTIVE CYCLIC DIONE COMPOUNDS, OR DERIVATIVES THEREOF, SUBSTITUTED BY A PHENYL WHICH HAS AN ALKYNYL-CONTAINING SUBSTITUENT SYNGENTA LTD (GB) 2018-01-17 EP disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
CN-1218943-C 4-pyrimidinyl-N-acyl-L-phenylalanine compounds HOFFMANN LA ROCHE (CH) 2005-09-14 CN disclosed
CN-1407972-A 4-pyrimidinyl-N-acyl-L-phenylalanine compounds HOFFMANN LA ROCHE (CH) 2003-04-02 CN disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 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 (7 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885MEN1 1540/4885KMT2A 2510/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 1995/4885MEN1 1454/4885KMT2A 2511/4885
US-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR ALDH1A1 1048/4885MEN1 4058/4885KMT2A 3083/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885MEN1 1540/4885KMT2A 2510/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR ALDH1A1 1048/4885MEN1 4058/4885KMT2A 3083/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885MEN1 303/4885KMT2A 2574/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885MEN1 1540/4885KMT2A 2510/4885

“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.