SCHEMBL5460356

SCHEMBL5460356

[CH2]CCCc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
HRH3 Q9Y5N1 3/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
AHR P35869 2/20 0.49
CHRNA7 P36544 2/20 0.47
BCHE P06276 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL3476410 0.95 LOXL2 (0.55) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL153397 0.89 LOXL2 (0.60) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL6860219 0.88 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL31059889 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL7169246 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL28335219 0.82 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL6026168 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL1713962 0.81 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL3034196 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL3272996 0.81 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018209343-A1 NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS: SMALL MOLECULE ANTICANCER AGENTS RAJUR SHARANAPPA BASAPPA (US) 2018-11-15 WO disclosed
US-7183296-B2 Anti-HIV pyrazole derivatives ROCHE PALO ALTO LLC (US) 2007-02-27 US disclosed
US-20070027093-A1 Anorectic JAPAN TOBACCO INC. (JP) 2007-02-01 US disclosed
EP-1718309-A2 ANORECTIC COMPOUNDS Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
WO-2005072740-A2 ANORECTIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-08-11 WO disclosed
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
EP-1229913-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2002-08-14 EP disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 WO disclosed
WO-2001035964-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2001-05-25 WO disclosed
US-6066672-A OF GIVEN FORMULA COMPRISING A SUBSTITUTED AMINOALKYL(AMIDO OR ALKYLAMINO)ALKYL(AMIDO OR ALKYLAMINO)ALKYL(ALKENE, ALKYL OR ALKOXYCARBONYL) TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0882699-A1 AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-12-09 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 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 (3 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-20070027093-A1 Anorectic DGAT1, DGAT2, GPR119 LOXL2 3833/4885HRH3 3971/4885MTNR1A 1472/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E LOXL2 4705/4885HRH3 1474/4885MTNR1A 4768/4885
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX LOXL2 2479/4885HRH3 173/4885MTNR1A 2087/4885

“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.