SCHEMBL2483408

SCHEMBL2483408

O=C(O)CNc1ccccc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
GRK2 P25098 1/20 0.53
DRD3 P35462 1/20 0.49
PLA2G1B P04054 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SCD O00767 2/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
HPGD P15428 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 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
Hydrochloric Acid SCHEMBL2486671 1.00 L3MBTL1 (0.57) L3MBTL1GRK2DRD3PLA2G1BALDH1A1
Hydrochloric Acid SCHEMBL8159146 0.85 L3MBTL1 (0.54) L3MBTL1GRK2DRD3PLA2G1BALDH1A1
SCHEMBL2789696 0.82 RAB9A (0.46) L3MBTL1GRK2PLA2G1BALDH1A1PTGER1
SCHEMBL667734 0.81 ALDH1A1 (0.55) L3MBTL1GRK2ALDH1A1MEN1KMT2A
SCHEMBL15015538 0.81 CXCL8 (0.57)
SCHEMBL15015520 0.81 HPGD (0.53) L3MBTL1GRK2ALDH1A1ITGB3ITGB1
SCHEMBL16858008 0.81 PARP1 (0.41) L3MBTL1ALDH1A1MEN1KMT2AITGB3
SCHEMBL5692314 0.80 PARP1 (0.51) PLA2G1BALDH1A1MEN1KMT2AITGB3
Hydrochloric Acid SCHEMBL11164652 0.80 L3MBTL1 (0.68) L3MBTL1ALDH1A1MAOBMEN1KMT2A
SCHEMBL27551104 0.80 PARP1 (0.43) PLA2G1BALDH1A1ITGB3ITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
US-9938321-B2 Cyclic peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2018-04-10 US disclosed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
WO-2014159937-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NATIONAL SCIENCE FOUNDATION 2014-09-18 US disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
WO-1994000440-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-01-06 WO disclosed
EP-0577394-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO. INC. (US) 1994-01-05 EP disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0393424-A2 Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes BAYER AG (DE) 1990-10-24 EP disclosed
US-4248677-A ELECTROCHEMICAL REDUCTION OF IMINES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1981-02-03 US disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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 (4 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG L3MBTL1 2749/4885GRK2 156/4885DRD3 652/4885
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NGLY1, FPR1, REV1 L3MBTL1 3539/4885GRK2 3775/4885DRD3 1500/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG L3MBTL1 2749/4885GRK2 156/4885DRD3 652/4885
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP L3MBTL1 4557/4885GRK2 4061/4885DRD3 2989/4885

“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.