SCHEMBL2359935

SCHEMBL2359935

COc1cccc(N2CCN(C=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
KCNH2 Q12809 2/20 0.57
DRD2 P14416 1/20 0.57
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTR1A P08908 4/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
GFER P55789 1/20 0.50

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
SCHEMBL29786218 1.00 ADRB1 (0.59) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL11074672 0.86 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL19212406 0.84 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL28906705 0.84 PARP14 (0.48) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL3667966 0.81 L3MBTL1 (0.57) ADRB1MAPTDRD2KMT2AMEN1
SCHEMBL27921921 0.81 DRD2 (0.62) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL27548199 0.81 ADRB1 (0.56) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL27739890 0.81 KMT2A (0.65) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL11889954 0.80 ADRB1 (0.57) ADRB1MAPTNPC1KCNH2KMT2A
SCHEMBL1372927 0.80 KCNH2 (0.69) ADRB1MAPTNPC1KCNH2DRD2

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
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
CN-111377846-B Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
CN-111377846-A Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2020-07-07 CN disclosed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
EP-1856083-A4 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF UNIV MICHIGAN (US) 2009-05-27 EP disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1856083-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP disclosed
US-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-11-02 US disclosed
WO-2006099193-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 WO 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-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof BCL2, BAD, BAX ADRB1 4599/4885MAPT 3970/4885NPC1 4392/4885
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ADRB1 99/4885MAPT 201/4885NPC1 2959/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 ADRB1 31/4885MAPT 3308/4885NPC1 2434/4885

“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.