SCHEMBL315527

SCHEMBL315527

O=C1CCc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
GRM5 P41594 2/20 0.51
PNMT P11086 1/20 0.51
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR6 P50406 4/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B1 P14061 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL316166 0.90 GRM5 (0.54) HTR2CHTR2BGRM5PNMTHTR6
SCHEMBL3854743 0.80 HTR2C (0.59) HTR2CHTR2BGRM5CASP1CASP7
SCHEMBL315066 0.78 MAOA (0.51) HTR2CHTR2BGRM5PNMTHTR6
SCHEMBL8318207 0.77 CASP1 (0.52) GRM5CASP1CASP7HSD17B10HSD17B1
SCHEMBL4235756 0.77 CASP1 (0.56) GRM5PNMTCASP1CASP7HSD17B10
SCHEMBL30232456 0.77 CASP1 (0.56) GRM5PNMTCASP1CASP7HSD17B10
SCHEMBL17361761 0.76 MAOA (0.56) GRM5ALDH1A1LMNATHRBTSHR
SCHEMBL13513169 0.76 HTR2C (0.50) HTR2CHTR2BPNMTHTR6ALDH1A1
SCHEMBL30558354 0.76 HTR6 (0.48) HTR2CHTR2BPNMTHTR6ALDH1A1
SCHEMBL14350330 0.76 HTR6 (0.48) HTR2CHTR2BPNMTHTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 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-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-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 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
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US disclosed
US-20060154965-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US disclosed
WO-2006066748-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066790-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
EP-0912534-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2002-09-25 EP disclosed
US-5935958-A COGNITION ACTIVATORS; ALZHEIMER'S DISEASE; ACETYLCHOLINESTERASE INHIBITORS; SYNERGISM DISPLAYED WHEN COMBINED WITH OTHER ACETYLCHOLINESTERASE INHIBITORS SCHERING CORPORATION (US) 1999-08-10 US disclosed
EP-0912534-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1999-05-06 EP disclosed
WO-1998000412-A9 MUSCARINIC ANTAGONISTS 1998-07-09 WO disclosed
WO-1998000412-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1998-01-08 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 (6 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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR2C 1508/4885HTR2B 2354/4885GRM5 4615/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR2C 1508/4885HTR2B 2354/4885GRM5 4615/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 HTR2C 858/4885HTR2B 1180/4885GRM5 445/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885GRM5 1195/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885GRM5 1195/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885GRM5 1195/4885

“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.