SCHEMBL314695

SCHEMBL314695

Cc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
THRB P10828 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 3/20 0.54
GPR119 Q8TDV5 6/20 0.52
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.46
ENPP2 Q13822 1/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL16399632 0.90 SMN1; SMN2 (0.61) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL24824540 0.86 SMN1; SMN2 (0.44) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL19899477 0.85 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL1970981 0.83 SMN1; SMN2 (0.67) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL16197142 0.83 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL12069921 0.83 SMN1; SMN2 (0.55) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL10189882 0.83 SMN1; SMN2 (0.58) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL25124309 0.82 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL315249 0.82 SMN1; SMN2 (0.57) SMN1; SMN2THRBGAAMAPTGPR119
SCHEMBL1968687 0.82 SMN1; SMN2 (0.54) SMN1; SMN2THRBGAAMAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 EP disclosed
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 EP disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 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 (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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI SMN1; SMN2 3331/4885THRB 2481/4885GAA 176/4885
US-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A SMN1; SMN2 4688/4885THRB 79/4885GAA 3565/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI SMN1; SMN2 3331/4885THRB 2481/4885GAA 176/4885
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 SMN1; SMN2 3318/4885THRB 3148/4885GAA 2698/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 SMN1; SMN2 3508/4885THRB 694/4885GAA 4652/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI SMN1; SMN2 3331/4885THRB 2481/4885GAA 176/4885

“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.