SCHEMBL316294

SCHEMBL316294

O=C1CCc2cc(Sc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
MAOA P21397 5/20 0.53
MAOB P27338 5/20 0.53
BCL2 P10415 1/20 0.50
MCL1 Q07820 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD17B1 P14061 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PTGS2 P35354 4/20 0.41
CYP2A6 P11509 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL315261 0.90 GRM5 (0.56) GRM5MAOAMAOBBCL2MCL1
SCHEMBL29176410 0.88 BCL2 (0.44) GRM5MAOAMAOBBCL2MCL1
SCHEMBL30166136 0.88 BCL2 (0.44) GRM5MAOAMAOBBCL2MCL1
SCHEMBL16548209 0.82 MCL1 (0.55) GRM5MAOAMAOBBCL2MCL1
SCHEMBL8313040 0.79 MAOA (0.56) GRM5MAOAMAOBCASP1CASP7
SCHEMBL315282 0.78 MAOA (0.53) GRM5MAOAMAOBBCL2MCL1
SCHEMBL5956228 0.78 CASP1 (0.53) GRM5MAOAMAOBCASP1CASP7
SCHEMBL17362038 0.77 MAOA (0.53) GRM5MAOAMAOBCASP1CASP7
SCHEMBL17361968 0.77 MAOA (0.53) GRM5MAOAMAOBBCL2MCL1
SCHEMBL2953711 0.76 GRM5 (0.57) GRM5MAOAMAOBBCL2MCL1

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 52 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-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
EP-1831159-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1831189-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1831152-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP 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
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

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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR GRM5 4615/4885MAOA 1589/4885MAOB 1590/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR GRM5 4615/4885MAOA 1589/4885MAOB 1590/4885
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 GRM5 159/4885MAOA 153/4885MAOB 137/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 GRM5 445/4885MAOA 1394/4885MAOB 1543/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GRM5 1195/4885MAOA 1523/4885MAOB 1177/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GRM5 1195/4885MAOA 1523/4885MAOB 1177/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GRM5 1195/4885MAOA 1523/4885MAOB 1177/4885

“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.