SCHEMBL315736

SCHEMBL315736

O=C1CCCc2cc(Sc3ccccc3)cc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
CYP2A6 P11509 1/20 0.38
BRD4 O60885 2/20 0.37
BUB1 O43683 2/20 0.36
PRKCI P41743 1/20 0.34
MAPK14 Q16539 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL641843 0.87 MAOA (0.40) MAOAMAOBBUB1MAPK14NPC1
SCHEMBL2517057 0.84 BRD4 (0.32) BRD4BUB1MAPK14L3MBTL1
SCHEMBL13513214 0.82 HTR2C (0.31) NPC1TP53MAPTNFKB1HTT
SCHEMBL645492 0.78 BRD4 (0.41) GRM5MAOAMAOBCYP2A6BRD4
SCHEMBL315261 0.75 GRM5 (0.56) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL315656 0.72 MAOA (0.35) MAOAMAOBCYP2A6BRD4BUB1
SCHEMBL315282 0.71 MAOA (0.53) GRM5MAOAMAOBCYP2A6BRD4
SCHEMBL6683679 0.71 MAOA (0.38) MAOAMAOBCYP2A6BRD4PRKCI
SCHEMBL642669 0.70 SIRT1 (0.35)
SCHEMBL17362038 0.70 MAOA (0.53) GRM5MAOAMAOBCYP2A6PRKCI

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 63 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-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147771-A2 TETRALIN AND INDANE 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-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-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
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

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-20080015256-A1 Tetralin and indane derivatives and uses thereof INSRR, TTN, INSR GRM5 4250/4885MAOA 1333/4885MAOB 1440/4885
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.