SCHEMBL2370159

SCHEMBL2370159

c1ccc2c(c1)C[C@@H]1O[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HTR2A P28223 5/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM1A O60341 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2C P28335 4/20 0.39
HRH1 P35367 4/20 0.39

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
SCHEMBL8201616 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL2696782 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL5061699 1.00 KMT2A (0.46) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL20384849 0.94 KMT2A (0.42) KMT2AHTR2AGRIN2DGRIN3BGRIN1
Benzonitrile SCHEMBL8546884 0.84 TSHR (0.47) KMT2AHTR2AGRIN2DGRIN3BGRIN1
SCHEMBL31546141 0.78 KMT2A (0.39) KMT2A
SCHEMBL7108519 0.77 IDO1 (0.47) HTR2A
SCHEMBL28971366 0.77 IDO1 (0.47) HTR2A
SCHEMBL5852603 0.77 IDO1 (0.47) HTR2A
SCHEMBL1109727 0.77 IDO1 (0.47) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658537-B1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI KAGAKU KK (JP) 1999-03-31 EP claimed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 EP claimed
US-20130131034-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-23 US disclosed
EP-1849778-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, COMPLEX FOR USE IN THE PROCESS, AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2013-04-24 EP disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
US-8410295-B2 Method for production of optically active epoxy compound, and complex used therefor and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-02 US disclosed
EP-2542524-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-01-09 EP disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-12 US disclosed
US-8163941-B2 Reacting an unsaturated compound with oxidier in presence of a oxidation catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-24 US disclosed
US-8163941-B2 Reacting an unsaturated compound with oxidier in presence of a oxidation catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-24 US disclosed
US-5760242-A Method of producing a cis-oxazoline ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5760242-A Method of producing a cis-oxazoline ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-06-02 US disclosed
EP-0816317-A1 PROCESS FOR PRODUCING TRANS-2-BROMOINDAN-1-OL ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0784698-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE Merck & Co., Inc. (US) 1997-07-23 EP disclosed
US-5648534-A Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1997-07-15 US disclosed
US-5648534-A Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1997-07-15 US disclosed
WO-1996012818-A1 BIOLOGICAL RESOLUTION OF RACEMIC INDENE OXIDE TO (1S,2R)-INDENE OXIDE MERCK & CO., INC. (US) 1996-05-02 WO disclosed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 EP disclosed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 EP 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 (2 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-20130131034-A1 DERIVATIVES OF AMINOINDANES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS ANXA2, ANXA3, ADM2 KMT2A 2830/4885HTR2A 464/4885GRIN2D 748/4885
US-20120178954-A1 METHOD FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND, AND COMPLEX USED THEREFOR AND PROCESS FOR PRODUCING THE SAME CYP4F11, CYP51A1, COASY KMT2A 2928/4885HTR2A 3154/4885GRIN2D 2671/4885

“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.