SCHEMBL499695

SCHEMBL499695

CCC[CH]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTR7 P34969 3/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PGR P06401 1/20 0.35
MIF P14174 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8715941 0.90 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2177653 0.88 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27762485 0.81 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL499896 0.79 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL23777720 0.79 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL3952483 0.78 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6421463 0.78 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL19418539 0.77 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30462691 0.77 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1245608 0.75 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072206-B Pesticidal compositions and related methods 美国陶氏益农公司 2020-02-21 CN claimed
CN-115943143-A 1-pyrazinylpyrazolyl-3-oxyalkyl acids and derivatives thereof and their use for controlling undesired vegetation 拜耳公司 2023-04-07 CN disclosed
CN-115666245-A Selective herbicides based on substituted isoxazoline carboxamides and furazolidone 拜耳公司 2023-01-31 CN disclosed
CN-114401956-A Substituted N-phenyluracils, their salts and their use as herbicides 拜耳公司 2022-04-26 CN disclosed
CN-112912374-A Oxocyclobutylphenoxyquinolines and analogs 拜耳公司 2021-06-04 CN disclosed
CN-112638893-A Substituted thiophenecarboxamides and analogs as antibacterial agents 拜耳公司 2021-04-09 CN disclosed
EP-2373661-B1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER SA (ES) 2013-03-20 EP disclosed
US-8106224-B2 Stereospecific method for the preparation of dioxa-bicyclooctane nitrate compounds LACER, S.A. (ES) 2012-01-31 US disclosed
US-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2011-10-13 US disclosed
EP-2149577-B1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER SA (ES) 2011-04-27 EP disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 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 (1 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-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 PNMT 3077/4885NPC1 3003/4885RAB9A 3726/4885

“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.