SCHEMBL64954

SCHEMBL64954

COCC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.64
LMNA P02545 2/20 0.57
HRH2 P25021 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.50
GAA P10253 1/20 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
SCHEMBL4780725 0.88 SIGMAR1 (0.58) SIGMAR1LMNAHRH2ALDH1A1POLB
SCHEMBL10678985 0.86 SIGMAR1 (0.58) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL4844085 0.86 SIGMAR1 (0.62) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL4844073 0.86 SIGMAR1 (0.62) SIGMAR1LMNAALDH1A1POLBGAA
SCHEMBL9582505 0.85 SIGMAR1 (0.51) SIGMAR1LMNAHRH2POLB
SCHEMBL4778855 0.85 SIGMAR1 (0.55) SIGMAR1LMNAHRH2ALDH1A1POLB
SCHEMBL31565134 0.84 SIGMAR1 (0.48) SIGMAR1
SCHEMBL9592739 0.84 SIGMAR1 (0.60) SIGMAR1LMNAALDH1A1
SCHEMBL7573297 0.84 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1POLB
SCHEMBL24328 0.83 SIGMAR1 (0.56) SIGMAR1LMNAALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
EP-2139481-B1 1-[(2'-SUBSTITUTED)-PIPERAZIN-1'-YL]-ISOQUINOLINES AS NOREPINEPHRINE TRANSPORTER INHIBITOR THERAPEUTICS AND POSITRON EMISSION TOMOGRAPHY IMAGING AGENTS UNIV MONTANA (US) 2013-08-21 EP disclosed
EP-2139481-B1 1-[(2'-SUBSTITUTED)-PIPERAZIN-1'-YL]-ISOQUINOLINES AS NOREPINEPHRINE TRANSPORTER INHIBITOR THERAPEUTICS AND POSITRON EMISSION TOMOGRAPHY IMAGING AGENTS UNIV MONTANA (US) 2013-08-21 EP disclosed
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 CN disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 EP 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 (7 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 SIGMAR1 2339/4885LMNA 2866/4885HRH2 3470/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 SIGMAR1 206/4885LMNA 4065/4885HRH2 42/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SIGMAR1 1440/4885LMNA 3279/4885HRH2 3644/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SIGMAR1 1058/4885LMNA 1590/4885HRH2 2857/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SIGMAR1 1440/4885LMNA 3279/4885HRH2 3644/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 SIGMAR1 256/4885LMNA 2852/4885HRH2 502/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 SIGMAR1 1440/4885LMNA 3279/4885HRH2 3644/4885

“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.