SCHEMBL985894

SCHEMBL985894

CCOC(=O)N1CCc2sccc2C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HSD17B10 Q99714 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4D Q08499 2/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1425864 0.89 KDM4E (0.46) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL4751608 0.87 MAPT (0.44) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL1182615 0.85 SMN1; SMN2 (0.42) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL2994626 0.83 ALDH1A1 (0.41) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL12563513 0.83 ALDH1A1 (0.41) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL2994625 0.83 ALDH1A1 (0.41) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL12636631 0.81 ALDH1A1 (0.43) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL1193762 0.81 ALDH1A1 (0.40) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL1193758 0.81 ALDH1A1 (0.40) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL1193760 0.81 ALDH1A1 (0.40) NOS3NOS1NOS2KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
WO-2016116061-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR 南京明德新药研发股份有限公司 2016-07-28 WO disclosed
EP-1981337-B1 THIOPHENYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS INC (US) 2015-09-02 EP disclosed
EP-1981337-B1 THIOPHENYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS INC (US) 2015-09-02 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof ATHERSYS, INC. 2007-08-16 US disclosed
WO-2007084622-A2 THIOPHENYL AND PYRROLYL AZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ATHERSYS, INC. (US) 2007-07-26 WO disclosed
EP-1778243-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-05-02 EP disclosed
WO-2006004931-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-01-12 WO disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 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 (5 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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 NOS3 1620/4885NOS1 2166/4885NOS2 2218/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P NOS3 2501/4885NOS1 1811/4885NOS2 1580/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P NOS3 2501/4885NOS1 1811/4885NOS2 1580/4885
US-20070191342-A1 Thiophenyl and pyrrolyl azepines as serotonin 5-HT2c receptor ligands and uses thereof HTR2C, HTR5A, HTR2A NOS3 1373/4885NOS1 2092/4885NOS2 1114/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 NOS3 2861/4885NOS1 3230/4885NOS2 2664/4885

“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.