SCHEMBL1045813

SCHEMBL1045813

CC(C)(C)c1nc(N2CCNCC2)cc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.50
DRD3 P35462 19/20 0.50

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
SCHEMBL1764382 0.95 DRD2 (0.49) DRD2DRD3
SCHEMBL2349531 0.89 HRH4 (0.48) DRD2DRD3
SCHEMBL2254829 0.82 ADRB2 (0.51)
SCHEMBL3296377 0.80 CASP1 (0.47) DRD2DRD3
SCHEMBL1764194 0.78 CASP1 (0.43) DRD2DRD3
SCHEMBL2001016 0.77 CASP1 (0.44) DRD2
SCHEMBL13741399 0.76 ADRB2 (0.48) DRD2DRD3
SCHEMBL16463511 0.76 DRD2 (0.88) DRD2DRD3
SCHEMBL2346634 0.75 HRH4 (0.57) DRD2DRD3
SCHEMBL30954210 0.75 ADRB1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 CN disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 CN disclosed
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
CN-104755083-B Urea and amide derivatives of aminoalkyl piperazine and application thereof 南方研究所 2018-04-10 CN disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 EP disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 WO disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 WO disclosed
US-6486162-B2 FOR THERAPY OF DISORDER OF THE CENTRAL NERVOUS SYSTEM WHICH RESPONDS TO DOPAMINE D3 LIGANDS SUCH AS SCHIZOPHRENIA, DEPRESSION, NEUROSES AND PSYCHOSES ABBOTT LABORATORIES 2002-11-26 US disclosed
US-6472392-B1 Triazole compounds and the use thereof as dopamine-D3 -ligands ABBOTT LABORATORIES 2002-10-29 US disclosed
US-20020143179-A1 2-{3-[4-(2-T-butyl-6-trifluoromethyl-4-pyrimidinyl)-1- piperazinyl] propylthio}-4-pyrimidinol fumarate ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-10-03 US disclosed
EP-0994865-B1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3-LIGANDS BASF AG (DE) 2002-03-06 EP disclosed
US-20010020022-A1 2{3-[4-(2-T-BUTYL-6-TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE BASF AKTIENGESELLSCHAFT (DE) 2001-09-06 US disclosed
EP-1003728-A1 2- 3- 4-(2-T-BUTYL-6- TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO PYRIMIDIN-4-OL-FUMARATE BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999009015-A1 2-{3-[4-(2-T-BUTYL-6- TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE BASF AKTIENGESELLSCHAFT (DE) 1999-02-25 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 (4 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-20020143179-A1 2-{3-[4-(2-T-butyl-6-trifluoromethyl-4-pyrimidinyl)-1- piperazinyl] propylthio}-4-pyrimidinol fumarate SLC6A3, DRD2, DRD3 DRD2 2/4885DRD3 3/4885
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A DRD2 4/4885DRD3 21/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R DRD2 1/4885DRD3 6/4885
US-20010020022-A1 2{3-[4-(2-T-BUTYL-6-TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE SLC6A3, DRD2, DRD3 DRD2 2/4885DRD3 3/4885

“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.