SCHEMBL2320577

SCHEMBL2320577

c1ccc2c(N3CCOCC3)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
CYP1A2 P05177 1/20 0.62
HTR1A P08908 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR2A P28223 1/20 0.62
HTR7 P34969 1/20 0.62
MTOR P42345 1/20 0.62
HTR3A P46098 1/20 0.62
HTR5A P47898 1/20 0.62
HTR6 P50406 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SIGMAR1 Q99720 1/20 0.62

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
SCHEMBL29999231 1.00 NCF1 (0.62) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL9643856 0.86 HTR1A (0.74) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL4718988 0.84 PRKDC (0.56) NCF1HTR3EHTR3BCYP1A2HTR1A
Hydrochloric Acid SCHEMBL7203515 0.84 KDM4E (0.75) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL1876619 0.82 NCF1 (0.69) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL569714 0.82 HTR1A (0.69) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL9424119 0.81 LMNA (0.62) NCF1CYP1A2TSHRHSD17B10KDM4E
SCHEMBL7491687 0.80 NCF1 (0.67) NCF1HTR3EHTR3BCYP1A2HTR1A
SCHEMBL3080094 0.80 NCF1 (0.67) NCF1HTR3EHTR3BCYP1A2HTR1A
Lithium SCHEMBL31260768 0.80 NCF1 (0.67) NCF1HTR3EHTR3BCYP1A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
CN-111116653-B Preparation method of pyrazole-triazole phosphine compound 河北工业大学 2022-08-12 CN disclosed
CN-111377964-B Pyrazole-triazole phosphine compound and application thereof 联化科技(上海)有限公司 2021-04-02 CN disclosed
CN-111377964-A Pyrazole-triazole phosphine compound and application thereof 联化科技(上海)有限公司 2020-07-07 CN disclosed
CN-111116653-A Preparation method of pyrazole-triazole phosphine compound 河北工业大学 2020-05-08 CN disclosed
US-9567307-B2 Amination of aryl alcohol derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-14 US disclosed
US-9567307-B2 Amination of aryl alcohol derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-14 US disclosed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US disclosed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO 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
CN-1416954-A Phosphinidene amide and transition metal complex catalyst and its synthesis process and application in C-C and C-N bond forming reaction SHANGHAI INST ORGANIC CHEM (CN) 2003-05-14 CN 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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 NCF1 148/4885HTR3E 4347/4885HTR3B 4168/4885

“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.