SCHEMBL355553

SCHEMBL355553

COc1cc2c(cc1OC)C(N)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MAOA P21397 3/20 0.50
TSHR P16473 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
GNG2 P59768 1/20 0.48

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
SCHEMBL28046681 1.00 CA1 (0.54) CA1CA2MAOATSHRTUBB4A
Hydrochloric Acid SCHEMBL17910635 0.98 CA1 (0.53) CA1CA2MAOATSHRTUBB4A
SCHEMBL1748257 0.89 CHRNA7 (0.48) CA1CA2MAOATSHRCHRNA7
SCHEMBL2466599 0.86 MAOA (0.55) MAOATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17041217 0.86 CYP19A1 (0.53) CA1CA2TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL5969887 0.84 MAOA (0.56) MAOATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7929913 0.80 CYP3A4 (0.48) CA1CA2MAOATSHRCA7
SCHEMBL7936406 0.80 CYP3A4 (0.48) CA1CA2MAOATSHRCA7
SCHEMBL8276942 0.80 CYP3A4 (0.48) CA1CA2MAOATSHRCA7
Hydrochloric Acid SCHEMBL15664148 0.78 CYP3A4 (0.46) CA1CA2MAOATSHRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431939-A Method for synthesizing R type aminoindane 陈永军 2017-02-22 CN claimed
CN-105152944-A Preparation method of R-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-16 CN claimed
CN-105111095-A Method for preparing S-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-02 CN claimed
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
EP-3133059-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE Oryzon Genomics, S.A. (ES) 2017-02-22 EP disclosed
CN-106431939-A Method for synthesizing R type aminoindane 陈永军 2017-02-22 CN disclosed
CN-106431939-A Method for synthesizing R type aminoindane 陈永军 2017-02-22 CN disclosed
CN-105473575-A Benzimidazolyl-methylurea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2016-04-06 CN disclosed
CN-105152944-A Preparation method of R-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-16 CN disclosed
CN-105152944-A Preparation method of R-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-16 CN disclosed
CN-105111095-A Method for preparing S-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-02 CN disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
EP-0882046-A1 QUINOLONES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1998-12-09 EP disclosed
WO-1997030999-A1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-08-28 WO disclosed
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 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-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R CA1 2487/4885CA2 1619/4885MAOA 398/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 CA1 2490/4885CA2 692/4885MAOA 3727/4885

“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.