SCHEMBL518835

SCHEMBL518835

O=CC1CCCCCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
MITF O75030 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL158979 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1LMNA
SCHEMBL82935 1.00
SCHEMBL27992068 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1LMNA
SCHEMBL27560935 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1LMNA
SCHEMBL18854121 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1LMNA
SCHEMBL348693 0.97
SCHEMBL4955062 0.97
SCHEMBL3679748 0.97
Hydrochloric Acid SCHEMBL21056379 0.95 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
Hydrochloric Acid SCHEMBL21056375 0.95 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198604-A NPY antagonists, their preparation and use CEREP (FR) 2008-06-11 CN claimed
CN-1950357-A Imidazole derivatives used as TAFIA inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-04-18 CN claimed
CN-1926148-A Beta-aminoacid-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN claimed
CN-1926137-A Pyrrole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN claimed
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
CN-1791601-A azaindole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN claimed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP claimed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
CN-110099869-A Thermally responsive solution and method of use thereof 阿克福特斯技术有限公司 2019-08-06 CN disclosed
CN-1152858-C Method for co-producing cyclic lactam and cyclic amine BASF 2004-06-09 CN disclosed
CN-1430610-A Substituted 1-aminoalkyllactam compounds and their use as muscarinic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-07-16 CN disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 US disclosed
CN-1318050-A Method for co-producing cyclic lactam and cyclic amine BASF AG (DE) 2001-10-17 CN disclosed
CN-1316996-A Method for joint production of cyclic lactam and cyclic amine BASF AG (DE) 2001-10-10 CN disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 EP disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A SLC6A2 77/4885SLC6A4 84/4885SLC6A3 64/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A SLC6A2 77/4885SLC6A4 84/4885SLC6A3 64/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A SLC6A2 77/4885SLC6A4 84/4885SLC6A3 64/4885

“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.