SCHEMBL315282

SCHEMBL315282

O=C1CCCc2ccc(Sc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.53
MAOB P27338 11/20 0.53
CYP2A6 P11509 1/20 0.53
GRM5 P41594 1/20 0.48
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
PRKCI P41743 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B1 P14061 1/20 0.40
PBRM1 Q86U86 1/20 0.39
BAZ2B Q9UIF8 1/20 0.37
BRD4 O60885 1/20 0.37

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 0.89 GRM5 (0.56) MAOAMAOBCYP2A6GRM5BCL2
SCHEMBL6076319 0.78 MAOA (0.48) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL29649260 0.78 MAOA (0.48) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL316294 0.78 GRM5 (0.54) MAOAMAOBCYP2A6GRM5BCL2
SCHEMBL17361968 0.76 MAOA (0.53) MAOAMAOBCYP2A6GRM5BCL2
SCHEMBL17362038 0.76 MAOA (0.53) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL30299282 0.75 TSHR (0.46) MAOAMAOBBCL2MCL1MEN1
SCHEMBL14376846 0.75 TSHR (0.46) MAOAMAOBBCL2MCL1MEN1
SCHEMBL29395799 0.75 MAOA (0.58) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL7714618 0.75 TYMS (0.45) MAOAMAOBCYP2A6PRKCIMEN1

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 74 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-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 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 (8 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 MAOA 1589/4885MAOB 1590/4885CYP2A6 439/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR MAOA 1589/4885MAOB 1590/4885CYP2A6 439/4885
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 MAOA 153/4885MAOB 137/4885CYP2A6 341/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 MAOA 1654/4885MAOB 898/4885CYP2A6 61/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 MAOA 1394/4885MAOB 1543/4885CYP2A6 875/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAOA 1523/4885MAOB 1177/4885CYP2A6 1324/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAOA 1523/4885MAOB 1177/4885CYP2A6 1324/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAOA 1523/4885MAOB 1177/4885CYP2A6 1324/4885

“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.