SCHEMBL315147

SCHEMBL315147

O=C1CCCc2cc(I)ccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 12/20 0.61
▸ MAOB P27338 12/20 0.61
▸ PRKCI P41743 1/20 0.61
▸ HSD17B1 P14061 2/20 0.54
▸ CYP2A6 P11509 1/20 0.53
▸ GRM5 P41594 1/20 0.51
▸ BAZ2B Q9UIF8 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP2 O95551 1/20 0.44
▸ PGR P06401 1/20 0.42

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
SCHEMBL23273176 0.96 MAOA (0.59) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL16082766 0.88 CASP1 (0.59) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL3665755 0.84 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL12500758 0.80 MAOA (0.48) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL17332134 0.79 MAOA (0.42) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL5536711 0.78 MAOA (0.63) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL26638890 0.77 TDP2 (0.58) MAOAMAOBPRKCIMEN1KMT2A
SCHEMBL13513216 0.76 MAOA (0.38) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL8131108 0.76 MAOA (0.61) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL5858951 0.76 MAOA (0.61) MAOAMAOBPRKCIHSD17B1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
CN-110278711-B Tricyclosulfones as rory modulators 百时美施贵宝公司 2023-12-15 — — CN disclosed
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
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 — — EP disclosed
CN-111116436-B Synthetic method of thioether compound containing 1, 4-naphthoquinone structure 信阳师范学院 2021-07-13 — — CN disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 — — WO disclosed
CN-107709295-B Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2021-05-04 — — CN disclosed
US-10968177-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 — — US disclosed
US-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-01-05 — — US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 — — US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 — — US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 — — US disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN 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 (5 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B MAOA 77/4885MAOB 66/4885PRKCI 4860/4885
US-10968177-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA MAOA 4592/4885MAOB 3976/4885PRKCI 2919/4885
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 137/4885PRKCI 4690/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAOA 1523/4885MAOB 1177/4885PRKCI 4129/4885
US-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity GAA, GBA1, GBA3 MAOA 1217/4885MAOB 697/4885PRKCI 1363/4885

“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.

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