SCHEMBL316883

SCHEMBL316883

O=C(O)CNCC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7695939 0.94 ALDH1A1 (0.66) CA1CA2ALDH1A1L3MBTL1MAPK1
Hydrochloric Acid SCHEMBL8053510 0.93 ALDH1A1 (0.63) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL7378770 0.88 CA1 (0.58) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL31174375 0.88 ALDH1A1 (0.58) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL23748823 0.86 ALDH1A1 (0.56) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL26331487 0.86 ALDH1A1 (0.56) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL8404075 0.86 ALDH1A1 (0.58) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL6518216 0.86 PPID (0.59) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL5369633 0.86 ALDH1A1 (0.59) CA1CA2ALDH1A1L3MBTL1MAPK1
SCHEMBL1011973 0.85 HTT (0.64) CA1CA2ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230192647-A1 COMPOUNDS FOR INHIBITION OF FIBROBLAST ACTIVATION PROTEIN USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2023-06-22 US disclosed
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2018-11-08 US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2015-09-24 US disclosed
US-8889906-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2014-11-18 US disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-7312359-B2 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
EP-1831159-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
US-20060167255-A1 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders ROCHE PALO ALTO LLC 2006-07-27 US disclosed
WO-2006066790-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-4514391-A HYPOTENSIVE AGENTS; ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-04-30 US disclosed
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 EP 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 (10 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-20060167255-A1 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders HTR2A, HTR1A, HTR5A CA1 4411/4885CA2 4144/4885ALDH1A1 1397/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 CA1 4461/4885CA2 4084/4885ALDH1A1 312/4885
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 CA1 4793/4885CA2 3161/4885ALDH1A1 1945/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 CA1 4621/4885CA2 4588/4885ALDH1A1 537/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 CA1 2899/4885CA2 3809/4885ALDH1A1 1353/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CA1 2378/4885CA2 3747/4885ALDH1A1 2132/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CA1 2378/4885CA2 3747/4885ALDH1A1 2132/4885
US-20230192647-A1 COMPOUNDS FOR INHIBITION OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, APC CA1 4011/4885CA2 1583/4885ALDH1A1 1043/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR CA1 2028/4885CA2 2556/4885ALDH1A1 1440/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CA1 2378/4885CA2 3747/4885ALDH1A1 2132/4885

“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.