SCHEMBL12388673

SCHEMBL12388673

CON(C)C(=O)c1cccc2c1OCC2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.59
MAPK14 Q16539 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MGLL Q99685 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RORC P51449 1/20 0.35
KIF11 P52732 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL4114474 0.81 CTNNB1 (0.53) CTNNB1WNT3A
SCHEMBL1065556 0.79 PARP1 (0.66) PARP1HCRTR1HCRTR2
SCHEMBL6680529 0.78 PARP1 (0.46) PARP1
SCHEMBL6680532 0.78 PARP1 (0.46) PARP1
SCHEMBL3360298 0.77 PARP1 (0.72) PARP1MAPK14HCRTR1HCRTR2MGLL
SCHEMBL3455116 0.76 HPGD (0.54) PARP1HCRTR1HCRTR2
SCHEMBL15761166 0.75 CTNNB1 (0.41) CTNNB1WNT3A
SCHEMBL8488477 0.75 PARP1 (0.43) PARP1HCRTR1HCRTR2
SCHEMBL1502069 0.75 PARP1 (1.00) PARP1HCRTR1HCRTR2MGLLRORC
SCHEMBL729580 0.75 PARP1 (0.74) PARP1MAPK14HCRTR1HCRTR2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010864-B Vascular endothelial growth factor receptor inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2022-08-26 CN disclosed
WO-2019233458-A1 VEGFR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏威凯尔医药科技有限公司 (CN) 2019-12-12 WO disclosed
WO-2019233458-A1 VEGFR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏威凯尔医药科技有限公司 (CN) 2019-12-12 WO disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L PARP1 2312/4885MAPK14 3280/4885HCRTR1 716/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PARP1 800/4885MAPK14 3566/4885HCRTR1 67/4885

“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.