SCHEMBL6861323

SCHEMBL6861323

CN(C(=O)O)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL486173 0.82 SMN1; SMN2 (0.47) KMT2APOLBHTTRAB9ANPC1
SCHEMBL2483553 0.80 POLB (0.32) KMT2APOLBKDM4ECHRNB2CHRNB4
SCHEMBL5404611 0.80 PLAU (0.33) KMT2APOLBKDM4ECHRNB2CHRNB4
SCHEMBL455438 0.78 KMT2A (0.53) KMT2APOLBKDM4EHTTFAAH
SCHEMBL482526 0.78 KMT2A (0.59) KMT2APOLBKDM4EHTTRAB9A
SCHEMBL5516357 0.77 KMT2A (0.38) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9490747 0.77 ROCK2 (0.47) KDM4EHTTRAB9ANPC1PKM
SCHEMBL2535672 0.77 PGR (0.41) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6788749 0.76 KMT2A (0.52) KMT2APOLBKDM4EHTTFAAH
SCHEMBL11788282 0.76 HDAC1 (0.44) KMT2APOLBKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US claimed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US claimed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US claimed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
CN-107106559-A Substituted spirocyclic inhibitors of autotaxin X-RX股份有限公司 2017-08-29 CN disclosed
EP-3125895-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX, Inc. (US) 2017-02-08 EP disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-6794372-B2 QUINOLONE ANTIBIOTIC VIRICIDES, FUNGICIDES, AND BACTERICIDES NICOX S.A. (FR) 2004-09-21 US disclosed
US-20040072798-A1 Compositions comprising cyclodextrins and no-releasing drugs NICOX S.A. (FR) 2004-04-15 US disclosed
EP-1347782-A1 COMPOSITIONS COMPRISING CYCLODEXTRINS AND NO-RELEASING DRUGS Nicox S.A. (FR) 2003-10-01 EP disclosed
US-20030105066-A1 Nitrate salts of antimicrobial agents NICOX S.A. (FR) 2003-06-05 US disclosed
WO-2002053188-A1 COMPOSITIONS COMPRISING CYCLODEXTRINS AND NO-RELEASING DRUGS NICOX S.A. (FR) 2002-07-11 WO disclosed
EP-1219306-A1 Compositions comprising cyclodextrins and NO- releasing drugs NICOX S.A. (FR) 2002-07-03 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 (6 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-20040072798-A1 Compositions comprising cyclodextrins and no-releasing drugs NOS1, NOS2, NOS3 KMT2A 4744/4885POLB 4331/4885KDM4E 4029/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 KMT2A 2582/4885POLB 3957/4885KDM4E 3789/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 KMT2A 2582/4885POLB 3957/4885KDM4E 3789/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A KMT2A 1978/4885POLB 871/4885KDM4E 1186/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 KMT2A 2521/4885POLB 4040/4885KDM4E 3762/4885
US-20030105066-A1 Nitrate salts of antimicrobial agents NOS1, NOS3, NOS2 KMT2A 4620/4885POLB 575/4885KDM4E 4352/4885

“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.