SCHEMBL4969986

SCHEMBL4969986

N[C@H](CO)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.53
ERAP1 Q9NZ08 2/20 0.53
ERAP2 Q6P179 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
EPHX1 P07099 1/20 0.48
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
DPP4 P27487 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
ACP3 P15309 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
TSHR P16473 1/20 0.42
GRIK1 P39086 1/20 0.42

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
SCHEMBL1177666 1.00 ANPEP (0.53) ANPEPERAP1ERAP2TDP1EPHX1
SCHEMBL1568623 1.00 ANPEP (0.53) ANPEPERAP1ERAP2TDP1EPHX1
SCHEMBL6820062 0.88 S1PR2 (0.53) ANPEPERAP1ERAP2TDP1EPHX1
SCHEMBL7309652 0.88 S1PR2 (0.53) ANPEPERAP1ERAP2TDP1EPHX1
SCHEMBL6820069 0.88 S1PR2 (0.53) ANPEPERAP1ERAP2TDP1EPHX1
SCHEMBL4895850 0.86 EPHX1 (0.56) ANPEPERAP1ERAP2EPHX1CYP2A6
SCHEMBL28779881 0.86 S1PR2 (0.59) ANPEPERAP1ERAP2TDP1HTR2A
SCHEMBL7310306 0.86 S1PR2 (0.59) ANPEPERAP1ERAP2TDP1HTR2A
SCHEMBL19143919 0.85 TDP1 (0.54) ANPEPERAP1ERAP2TDP1EPHX1
Methyl Carbamate SCHEMBL28108897 0.85 METAP2 (0.47) ANPEPERAP1ERAP2SMN1; SMN2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-0982026-B1 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers HOFFMANN LA ROCHE (CH) 2006-05-17 EP disclosed
EP-0876388-B1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2004-02-18 EP disclosed
WO-2001096319-A1 TRANS-GLYCOSIDATION PROCESS FOR THE SYNTHESIS OF (2R, 2-ALPHA-R, 3A)-2-[1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY]-3-(4-FLUOROPHENYL)-1,4-OXAZINE MERCK & CO., INC. (US) 2001-12-20 WO disclosed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 US disclosed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
EP-0876388-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0728735-B1 Process for the preparation of racemic aminoalcohols DEGUSSA (DE) 1998-04-01 EP disclosed
US-5672753-A Method of producing racemic amino alcohols DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
WO-1997017356-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-05-15 WO disclosed
EP-0728735-A1 Process for the preparation of racemic aminoalcohols Degussa Aktiengesellschaft (DE) 1996-08-28 EP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 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 (1 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R ANPEP 2578/4885ERAP1 908/4885ERAP2 2099/4885

“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.