SCHEMBL2174623

SCHEMBL2174623

CC(C)(C)OC(=O)N1CCC(O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.41
UCHL1 P09936 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
AVPR2 P30518 4/20 0.41
AVPR1A P37288 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
OXTR P30559 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL29457605 1.00 KDM1A (0.55) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL29457639 1.00 KDM1A (0.55) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL6648372 0.87 KDM1A (0.54) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL7004085 0.87 KDM1A (0.50) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL24867123 0.86 KDM1A (0.53) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL1985926 0.86 KDM1A (0.59) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL26090253 0.86 KDM1A (0.59) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL30346003 0.86 KDM1A (0.59) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL5561495 0.86 KDM1A (0.53) KDM1AHDAC1HDAC6GPR119BCHE
SCHEMBL31357047 0.82 KDM1A (0.49) KDM1AHDAC1HDAC6GPR119BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-1964925-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES MITSUBISHI TANABE PHARMA CORP (JP) 2016-03-30 EP disclosed
US-7972836-B2 Method of enzymatic optical resolution of racemic 4-hydroxy-1,2,3,4-tetrahydroquinoline MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20090269821-A1 Method for Preparing Optically Active 4-Hydroxy-1,2,3,4-Tetrahydroquinoline Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-29 US disclosed
EP-1964925-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-03 EP disclosed
EP-1408970-B1 INDOLINES AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT UNIV LONDON PHARMACY (GB) 2007-05-09 EP disclosed
US-7179921-B2 Indoline and tetrahydro-quinolines as prodrugs for tumour treatment SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2007-02-20 US disclosed
US-20040157880-A1 Indoline and tetrahydro-quinolines as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2004-08-12 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 KDM1A 2120/4885HDAC1 2076/4885HDAC6 1177/4885
US-20040157880-A1 Indoline and tetrahydro-quinolines as prodrugs for tumour treatment CYP1B1, TOP1, UGT1A1 KDM1A 458/4885HDAC1 245/4885HDAC6 2134/4885

“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.