SCHEMBL414288

SCHEMBL414288

CC(=O)CCc1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.55
ALDH1A1 P00352 6/20 0.54
LMNA P02545 1/20 0.54
FDPS P14324 1/20 0.41
IKBKB O14920 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HSD17B10 Q99714 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.37
CFTR P13569 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
HDAC4 P56524 1/20 0.37

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
Hydrochloric Acid SCHEMBL9297129 0.98 IAPP (0.53) IAPPALDH1A1LMNAFDPSIKBKB
SCHEMBL3650689 0.89 ALDH1A1 (0.46) IAPPALDH1A1LMNAFDPSSMN1; SMN2
Hydrochloric Acid SCHEMBL8183615 0.85 ALDH1A1 (0.43) IAPPALDH1A1LMNAFDPSCYP4F2
SCHEMBL8525954 0.85 HDAC3 (0.44) IAPPALDH1A1LMNACYP4F2CYP4A11
SCHEMBL28271600 0.83 FDPS (0.43) IAPPALDH1A1LMNAFDPSSMN1; SMN2
SCHEMBL250283 0.82 FDPS (0.46) ALDH1A1FDPSSMN1; SMN2KDM4EHPGD
SCHEMBL27793134 0.82 FDPS (0.42) IAPPALDH1A1LMNAFDPSSMN1; SMN2
SCHEMBL89295 0.82 KEAP1 (0.54) FDPSSMN1; SMN2HPGDMAPTHDAC3
Hydrochloric Acid SCHEMBL11232270 0.80 FDPS (0.44) ALDH1A1FDPSSMN1; SMN2KDM4EHPGD
SCHEMBL3402986 0.79 TSHR (0.49) ALDH1A1LMNASMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 US disclosed
CN-102688779-B Preparation of phosphine ligand ruthenium catalyst and application thereof in asymmetric reduction ASYMCHEM LAB TIANJIN CO LTD 2014-07-09 CN disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
EP-1093372-A4 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2004-09-29 EP disclosed
EP-1093372-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2001-04-25 EP disclosed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0587533-B1 Process for the preparation of alpha-aminoketone salts CIBA GEIGY AG (CH) 1997-03-12 EP disclosed
EP-0587533-A2 Process for the preparation of alpha-aminoketone salts CIBA-GEIGY AG (CH) 1994-03-16 EP disclosed
US-4744813-A TRIFLUOROMETHYL DERIVATIVES STAUFFER CHEMICAL CO. (US) 1988-05-17 US disclosed
US-4724261-A CHEMICAL INTERMEDIATE FOR ANILINO ALKANONE HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-02-09 US 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 (2 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 IAPP 229/4885ALDH1A1 3727/4885LMNA 1925/4885
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 IAPP 4877/4885ALDH1A1 1457/4885LMNA 2533/4885

“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.