SCHEMBL353959

SCHEMBL353959

N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
EPHX2 P34913 3/20 0.59
ALDH1A1 P00352 1/20 0.57
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
EPHX1 P07099 4/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CTSC P53634 1/20 0.52
TP53 P04637 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51

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
SCHEMBL6164081 1.00 TDP1 (0.64) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7759004 0.99 TDP1 (0.62) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6166506 0.98 TDP1 (0.61) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20474616 0.90 ALDH1A1 (0.62) TDP1ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL18553983 0.90 ALDH1A1 (0.62) TDP1ALDH1A1KDM4ESMN1; SMN2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL8424410 0.89 TDP1 (0.53) TDP1EPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3006742 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3006748 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3006751 0.88 XIAP (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL14417240 0.87 ALPI (0.50) TDP1ALDH1A1KDM4ESMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
CN-101157720-B Template-fixed peptidomimetics as serine protease inhibitors POLYPHOR LTD 2012-04-04 CN disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
CN-1688600-B Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD 2010-04-28 CN disclosed
US-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLYPHOR LTD. (CH) 2010-03-04 US disclosed
WO-2004083199-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
EP-1458747-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF SERINE PROTEASES Polyphor Ltd. (CH) 2004-09-22 EP disclosed
US-20040171066-A1 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD. (CH) 2004-09-02 US disclosed
WO-2004018503-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLYPHOR LTD. (CH) 2004-03-04 WO disclosed
WO-2003054000-A1 TEMPLATE-FIXED PEPTIDOMIMETICSAS INHIBITORS OF SERINE PROTEASES POLYPHOR LTD. (CH) 2003-07-03 WO disclosed
EP-0640618-B1 Tetrahydronaphthalene-peptide derivatives HOFFMANN LA ROCHE (CH) 1999-10-20 EP disclosed
US-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
US-5644024-A MIMICS OF PEPTIDE DOMAINS, SEQUENCE DETERMINATION, DRUGS HOFFMANN-LA ROCHE INC. (US) 1997-07-01 US disclosed
EP-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed
EP-0640618-A1 Tetrahydronaphthalene-peptide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-01 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 (6 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 650/4885EPHX2 678/4885ALDH1A1 2989/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 650/4885EPHX2 678/4885ALDH1A1 2989/4885
US-20040171066-A1 Template-fixed peptidomimetics with antimicrobial activity ZFR, POLR1C, ZC3HAV1 TDP1 3143/4885EPHX2 4714/4885ALDH1A1 2186/4885
US-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLL, QPCTL, PEPD TDP1 3797/4885EPHX2 4821/4885ALDH1A1 1705/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 650/4885EPHX2 678/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 793/4885EPHX2 660/4885ALDH1A1 3131/4885

“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.