SCHEMBL3476410

SCHEMBL3476410

[CH2]CCCCc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HRH3 Q9Y5N1 3/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRNA7 P36544 2/20 0.46
AHR P35869 1/20 0.44
BCHE P06276 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL5460356 0.95 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL153397 0.87 LOXL2 (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL6860219 0.87 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL30382957 0.82 CTSV (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL14386719 0.82 LOXL2 (0.55) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL28235854 0.82 LOXL2 (0.55) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL8376332 0.82 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL369110 0.82 CTSV (0.60) LOXL2HRH3MTNR1AMTNR1BCHRNA7

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US claimed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP claimed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO claimed
WO-2015044928-A1 SUBSTITUTED INDOLES AND THEIR USE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS STELLENBOSCH UNIVERSITY (ZA) 2015-04-02 WO disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-7601751-B2 Indole acetic acid acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2009-05-21 US disclosed
EP-1915055-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-30 EP disclosed
US-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US disclosed
WO-2007021629-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 WO disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO disclosed
WO-2003027089-A1 BENZOFURAN, INDOLE OR BENZOTHIOPHENE 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
US-6388105-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. 2002-05-14 US disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK LOXL2 3664/4885HRH3 4406/4885MTNR1A 4110/4885
US-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 LOXL2 4745/4885HRH3 506/4885MTNR1A 1114/4885
US-20090131494-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT LOXL2 4287/4885HRH3 1542/4885MTNR1A 2188/4885

“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.